CID 4379478

2803863-33-2

Structural Information

Molecular Formula

C₁₁H₁₅N₃

SMILES

CC1=NC2=CC=CC=C2N1CCCN

InChI

InChI=1S/C11H15N3/c1-9-13-10-5-2-3-6-11(10)14(9)8-4-7-12/h2-3,5-6H,4,7-8,12H2,1H3

InChIKey

MEULDBLUXYRLCE-UHFFFAOYSA-N

Compound name

3-(2-methylbenzimidazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 189.1266 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]+	190.13388	141.1
[M+Na]+	212.11582	151.2
[M-H]-	188.11932	143.1
[M+NH4]+	207.16042	161.1
[M+K]+	228.08976	147.2
[M+H-H2O]+	172.12386	133.7
[M+HCOO]-	234.12480	165.0
[M+CH3COO]-	248.14045	186.3
[M+Na-2H]-	210.10127	147.8
[M]+	189.12605	142.8
[M]-	189.12715	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe