CID 424321

2-aminomethyl-5,6-dimethylbenzimidazole hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CC1=CC2=C(C=C1C)N=C(N2)CN

InChI

InChI=1S/C10H13N3/c1-6-3-8-9(4-7(6)2)13-10(5-11)12-8/h3-4H,5,11H2,1-2H3,(H,12,13)

InChIKey

YVGNMPOXSOIKSS-UHFFFAOYSA-N

Compound name

(5,6-dimethyl-1H-benzimidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 175.11095 Da
Monoisotopic Mass: 1.1
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]+	176.118226	137.3
[M+Na]+	198.100168	148.4
[M-H]-	174.103674	138.6
[M+NH4]+	193.144773	157.5
[M+K]+	214.074108	143.7
[M+H-H2O]+	158.108210	130.8
[M+HCOO]-	220.109151	160.0
[M+CH3COO]-	234.124801	150.9
[M+Na-2H]-	196.085616	143.4
[M]+	175.11040142	137.3
[M]-	175.11149858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe