CID 15034982

[3-(1h-imidazol-1-yl)propyl](methyl)amine

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CNCCCN1C=CN=C1

InChI

InChI=1S/C7H13N3/c1-8-3-2-5-10-6-4-9-7-10/h4,6-8H,2-3,5H2,1H3

InChIKey

ZPMDRIAJBDFGCZ-UHFFFAOYSA-N

Compound name

3-imidazol-1-yl-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 330
Patents: 139.11095 Da
Monoisotopic Mass: -0.1
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	129.7
[M+Na]+	162.10017	140.2
[M+NH4]+	157.14477	137.7
[M+K]+	178.07411	135.8
[M-H]-	138.10367	130.7
[M+Na-2H]-	160.08562	135.8
[M]+	139.11040	131.2
[M]-	139.11150	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe