CID 924745

24625-24-9

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CC1=CC2=C(C=C1)N=C(N2)CCN

InChI

InChI=1S/C10H13N3/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h2-3,6H,4-5,11H2,1H3,(H,12,13)

InChIKey

BQXLLXSCNRJESI-UHFFFAOYSA-N

Compound name

2-(6-methyl-1H-benzimidazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 175.11095 Da
Monoisotopic Mass: 1.2
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]+	176.118226	136.8
[M+Na]+	198.100168	147.0
[M-H]-	174.103674	137.7
[M+NH4]+	193.144773	156.7
[M+K]+	214.074108	142.4
[M+H-H2O]+	158.108210	130.0
[M+HCOO]-	220.109151	159.6
[M+CH3COO]-	234.124801	150.1
[M+Na-2H]-	196.085616	143.7
[M]+	175.11040142	136.4
[M]-	175.11149858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe