CID 762084

1-methyl-2-formylbenzimidazole

Structural Information

Molecular Formula
C9H8N2O
SMILES
CN1C2=CC=CC=C2N=C1C=O
InChI
InChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-6H,1H3
InChIKey
SIRPHJCQZYVEES-UHFFFAOYSA-N
Compound name
1-methylbenzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

926
Patents

160.06366 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 129.5
[M+Na]+ 183.052878 141.6
[M-H]- 159.056384 132.5
[M+NH4]+ 178.097483 151.2
[M+K]+ 199.026818 138.6
[M+H-H2O]+ 143.060920 122.9
[M+HCOO]- 205.061861 154.1
[M+CH3COO]- 219.077511 177.3
[M+Na-2H]- 181.038326 137.9
[M]+ 160.06311142 133.0
[M]- 160.06420858 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