CID 3151737

138078-14-5

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CN1C2=CC=CC=C2N=C1CCN

InChI

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

InChIKey

KYWISJFMAVDXJU-UHFFFAOYSA-N

Compound name

2-(1-methylbenzimidazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 51
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]+	176.11823	136.4
[M+Na]+	198.10017	147.0
[M-H]-	174.10367	138.7
[M+NH4]+	193.14477	157.0
[M+K]+	214.07411	143.3
[M+H-H2O]+	158.10821	129.3
[M+HCOO]-	220.10915	160.7
[M+CH3COO]-	234.12480	150.4
[M+Na-2H]-	196.08562	143.7
[M]+	175.11040	137.9
[M]-	175.11150	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe