CID 3152105

2258-21-1

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC1=NC=CN1CCCN

InChI

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

InChIKey

NDUDHWBKFFJGMA-UHFFFAOYSA-N

Compound name

3-(2-methylimidazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 948
Patents: 139.11095 Da
Monoisotopic Mass: -0.2
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	129.5
[M+Na]+	162.10017	137.8
[M-H]-	138.10367	130.1
[M+NH4]+	157.14477	150.0
[M+K]+	178.07411	136.1
[M+H-H2O]+	122.10821	122.3
[M+HCOO]-	184.10915	153.2
[M+CH3COO]-	198.12480	176.0
[M+Na-2H]-	160.08562	135.0
[M]+	139.11040	129.0
[M]-	139.11150	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe