CID 94840

N-butylidenebutylamine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCCCN=CCCC

InChI

InChI=1S/C8H17N/c1-3-5-7-9-8-6-4-2/h7H,3-6,8H2,1-2H3

InChIKey

GMYLJUMIAPOWOO-UHFFFAOYSA-N

Compound name

N-butylbutan-1-imine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 50
Patents: 127.1361 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	128.14338	129.9
[M+Na]+	150.12532	136.2
[M-H]-	126.12882	131.3
[M+NH4]+	145.16992	152.8
[M+K]+	166.09926	135.9
[M+H-H2O]+	110.13336	124.8
[M+HCOO]-	172.13430	155.8
[M+CH3COO]-	186.14995	179.3
[M+Na-2H]-	148.11077	136.8
[M]+	127.13555	132.3
[M]-	127.13665	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe