CID 58622176

933746-87-3

Structural Information

Molecular Formula
C9H6N2O
SMILES
C1=CC2=CC(=CN=C2N=C1)C=O
InChI
InChI=1S/C9H6N2O/c12-6-7-4-8-2-1-3-10-9(8)11-5-7/h1-6H
InChIKey
WXENZULYFDWZPV-UHFFFAOYSA-N
Compound name
1,8-naphthyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

158.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.055296 129.1
[M+Na]+ 181.037238 139.3
[M-H]- 157.040744 131.3
[M+NH4]+ 176.081843 148.5
[M+K]+ 197.011178 136.2
[M+H-H2O]+ 141.045280 121.8
[M+HCOO]- 203.046221 151.4
[M+CH3COO]- 217.061871 143.1
[M+Na-2H]- 179.022686 140.1
[M]+ 158.04747142 130.0
[M]- 158.04856858 130.0
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

patents stripe