CID 962472

123511-50-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CCCN1C2=CC=CC=C2N=C1C=O

InChI

InChI=1S/C11H12N2O/c1-2-7-13-10-6-4-3-5-9(10)12-11(13)8-14/h3-6,8H,2,7H2,1H3

InChIKey

YQXBQNVSLZRMGK-UHFFFAOYSA-N

Compound name

1-propylbenzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 188.09496 Da
Monoisotopic Mass: 2.1
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]+	189.10224	139.0
[M+Na]+	211.08418	150.2
[M-H]-	187.08768	141.6
[M+NH4]+	206.12878	159.5
[M+K]+	227.05812	146.6
[M+H-H2O]+	171.09222	131.9
[M+HCOO]-	233.09316	162.9
[M+CH3COO]-	247.10881	183.3
[M+Na-2H]-	209.06963	146.3
[M]+	188.09441	143.2
[M]-	188.09551	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe