CID 10012038

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

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC2=C(C=C1C=O)NC=N2
InChI
InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10)
InChIKey
ALCHVVTYAHQOFY-UHFFFAOYSA-N
Compound name
3H-benzimidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

531
Patents

146.04802 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 125.6
[M+Na]+ 169.037238 136.8
[M-H]- 145.040744 126.9
[M+NH4]+ 164.081843 146.7
[M+K]+ 185.011178 133.0
[M+H-H2O]+ 129.045280 119.1
[M+HCOO]- 191.046221 149.0
[M+CH3COO]- 205.061871 140.1
[M+Na-2H]- 167.022686 134.8
[M]+ 146.04747142 126.5
[M]- 146.04856858 126.5
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