CID 15034954

3-(4-methyl-1h-imidazol-1-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC1=CN(C=N1)CCCN

InChI

InChI=1S/C7H13N3/c1-7-5-10(6-9-7)4-2-3-8/h5-6H,2-4,8H2,1H3

InChIKey

BJQQCZZHUZGXKN-UHFFFAOYSA-N

Compound name

3-(4-methylimidazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
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	140.1
[M+NH4]+	157.14477	137.3
[M+K]+	178.07411	136.1
[M-H]-	138.10367	130.3
[M+Na-2H]-	160.08562	134.9
[M]+	139.11040	130.9
[M]-	139.11150	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe