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

5
Patents

188.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.0
[M+Na]+ 211.084178 150.2
[M-H]- 187.087684 141.6
[M+NH4]+ 206.128783 159.5
[M+K]+ 227.058118 146.6
[M+H-H2O]+ 171.092220 131.9
[M+HCOO]- 233.093161 162.9
[M+CH3COO]- 247.108811 183.3
[M+Na-2H]- 209.069626 146.3
[M]+ 188.09441142 143.2
[M]- 188.09550858 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe