CID 49761606

1,5-naphthyridine-3-carbaldehyde

Structural Information

Molecular Formula
C9H6N2O
SMILES
C1=CC2=C(C=C(C=N2)C=O)N=C1
InChI
InChI=1S/C9H6N2O/c12-6-7-4-9-8(11-5-7)2-1-3-10-9/h1-6H
InChIKey
MAOABMVKXVXKFA-UHFFFAOYSA-N
Compound name
1,5-naphthyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

158.04802 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05530 129.1
[M+Na]+ 181.03724 139.3
[M-H]- 157.04074 131.3
[M+NH4]+ 176.08184 148.5
[M+K]+ 197.01118 136.2
[M+H-H2O]+ 141.04528 121.8
[M+HCOO]- 203.04622 151.4
[M+CH3COO]- 217.06187 143.1
[M+Na-2H]- 179.02269 140.1
[M]+ 158.04747 130.0
[M]- 158.04857 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