Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H17N/c1-11(2)9-7-5-6-8-10(9)12(3,4)13-11/h5-8,13H,1-4H3
SMILES	CC1(C)NC(c2c1cccc2)(C)C
InChI Key	ZAHPSFHHFNVYAR-UHFFFAOYSA-N
Molecular Formula	C12H17N
Exact Mass	175.270 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZAHPSFHHFNVYAR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZAHPSFHHFNVYAR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Isabelle Wessely
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:53:34.037280
MetadataModified	2024-09-07T17:35:34.062184
MetadataPublished	2020-04-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
10024138	NMRShiftDB
SCHEMBL2191872	SureChEMBL
641027	PubChem
CHEMBL3736031	ChEMBL
J1.055.028I	Nikkaji
DTXSID20348850	EPA CompTox Dashboard
ZINC000032301855	ZINC
The data in this table is sourced from UniChem at EBI.