CID 131028101

7-methoxy-1h-1,3-benzodiazole-5-carbaldehyde

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC1=CC(=CC2=C1N=CN2)C=O
InChI
InChI=1S/C9H8N2O2/c1-13-8-3-6(4-12)2-7-9(8)11-5-10-7/h2-5H,1H3,(H,10,11)
InChIKey
KOCPMKIABQPDAV-UHFFFAOYSA-N
Compound name
7-methoxy-3H-benzimidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.3
[M+Na]+ 199.04780 144.8
[M-H]- 175.05130 134.9
[M+NH4]+ 194.09240 153.5
[M+K]+ 215.02174 141.4
[M+H-H2O]+ 159.05584 126.7
[M+HCOO]- 221.05678 156.5
[M+CH3COO]- 235.07243 176.7
[M+Na-2H]- 197.03325 141.2
[M]+ 176.05803 136.3
[M]- 176.05913 136.3
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

No patent data available for this compound.