CID 1073273

1-(propan-2-yl)-1h-1,3-benzodiazole-2-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC(C)N1C2=CC=CC=C2N=C1C=O

InChI

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

InChIKey

GHWMKMLXYMLFPR-UHFFFAOYSA-N

Compound name

1-propan-2-ylbenzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 188.09496 Da
Monoisotopic Mass: 1.9
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]+	189.102236	139.3
[M+Na]+	211.084178	150.2
[M-H]-	187.087684	142.1
[M+NH4]+	206.128783	159.8
[M+K]+	227.058118	147.1
[M+H-H2O]+	171.092220	132.4
[M+HCOO]-	233.093161	162.2
[M+CH3COO]-	247.108811	184.1
[M+Na-2H]-	209.069626	145.4
[M]+	188.09441142	142.9
[M]-	188.09550858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe