CID 3151735

1245569-34-9

Structural Information

Molecular Formula

C₁₁H₁₅N₃

SMILES

CN1C2=CC=CC=C2N=C1CCCN

InChI

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

InChIKey

IPIKWNHOWCSDJF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	140.8
[M+Na]+	212.11582	153.9
[M+NH4]+	207.16042	149.4
[M+K]+	228.08976	148.5
[M-H]-	188.11932	143.0
[M+Na-2H]-	210.10127	147.4
[M]+	189.12605	143.2
[M]-	189.12715	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe