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]+ 177.065856 133.3
[M+Na]+ 199.047798 144.8
[M-H]- 175.051304 134.9
[M+NH4]+ 194.092403 153.5
[M+K]+ 215.021738 141.4
[M+H-H2O]+ 159.055840 126.7
[M+HCOO]- 221.056781 156.5
[M+CH3COO]- 235.072431 176.7
[M+Na-2H]- 197.033246 141.2
[M]+ 176.05803142 136.3
[M]- 176.05912858 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.