Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H16BrN/c1-7(2)10-5-9(12)6-11(13-10)8(3)4/h5-8H,1-4H3
SMILES	Brc1cc(nc(c1)C(C)C)C(C)C
InChI Key	KQBMPTUNDIHOQF-UHFFFAOYSA-N
Molecular Formula	C11H16BrN
Exact Mass	242.155 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KQBMPTUNDIHOQF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KQBMPTUNDIHOQF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:04:01.232653
MetadataModified	2024-09-07T17:49:53.431705
MetadataPublished	2020-04-24

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
129956803	PubChem
The data in this table is sourced from UniChem at EBI.