Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-11-7-6-10-15-9-5-4-8-14/h15H,4-7,9-11H2,1-3H3,(H,16,17)
SMILES	N#CCCCNCCCCNC(=O)OC(C)(C)C
InChI Key	LLQSSCVUQVINBV-UHFFFAOYSA-N
Molecular Formula	C13H25N3O2
Exact Mass	255.357 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/LLQSSCVUQVINBV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LLQSSCVUQVINBV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Michael Mertens
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:55:59.545060
MetadataModified	2025-01-29T16:47:45.258862
MetadataPublished	2024-12-03

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000219552063	ZINC
85975644	PubChem
The data in this table is sourced from UniChem at EBI.