CID 15723688

102880-53-5

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CNCC1=NC2=CC=CC=C2N1C

InChI

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

InChIKey

NCXZCKSFAVXJJR-UHFFFAOYSA-N

Compound name

N-methyl-1-(1-methylbenzimidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 175.11095 Da
Monoisotopic Mass: 0.8
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	136.0
[M+Na]+	198.100168	146.5
[M-H]-	174.103674	138.7
[M+NH4]+	193.144773	156.8
[M+K]+	214.074108	143.2
[M+H-H2O]+	158.108210	128.8
[M+HCOO]-	220.109151	160.8
[M+CH3COO]-	234.124801	150.2
[M+Na-2H]-	196.085616	144.3
[M]+	175.11040142	138.4
[M]-	175.11149858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe