CID 4962420

883538-95-2

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CCN1C2=CC=CC=C2N=C1CN

InChI

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

InChIKey

JODSAKGGJDQULV-UHFFFAOYSA-N

Compound name

(1-ethylbenzimidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 175.11095 Da
Monoisotopic Mass: 0.6
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	136.4
[M+Na]+	198.100168	147.0
[M-H]-	174.103674	138.7
[M+NH4]+	193.144773	157.0
[M+K]+	214.074108	143.3
[M+H-H2O]+	158.108210	129.3
[M+HCOO]-	220.109151	160.7
[M+CH3COO]-	234.124801	150.4
[M+Na-2H]-	196.085616	143.7
[M]+	175.11040142	137.9
[M]-	175.11149858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe