CID 17904497

1-methyl-1h-benzimidazole-5-carboxaldehyde

Structural Information

Molecular Formula
C9H8N2O
SMILES
CN1C=NC2=C1C=CC(=C2)C=O
InChI
InChI=1S/C9H8N2O/c1-11-6-10-8-4-7(5-12)2-3-9(8)11/h2-6H,1H3
InChIKey
PZIDCZRIHGNHPD-UHFFFAOYSA-N
Compound name
1-methylbenzimidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

160.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.5
[M+Na]+ 183.05288 145.3
[M+NH4]+ 178.09748 139.3
[M+K]+ 199.02682 140.0
[M-H]- 159.05638 132.0
[M+Na-2H]- 181.03833 137.9
[M]+ 160.06311 133.0
[M]- 160.06421 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe