CID 4379480

1h-imidazole-1-butanamine

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

C1=CN(C=N1)CCCCN

InChI

InChI=1S/C7H13N3/c8-3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5,8H2

InChIKey

JVZPYJSJSQIEOG-UHFFFAOYSA-N

Compound name

4-imidazol-1-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 218
Patents: 139.11095 Da
Monoisotopic Mass: -0.3
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]+	140.11823	129.6
[M+Na]+	162.10017	139.9
[M+NH4]+	157.14477	137.5
[M+K]+	178.07411	135.7
[M-H]-	138.10367	130.4
[M+Na-2H]-	160.08562	135.3
[M]+	139.11040	131.0
[M]-	139.11150	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe