CID 11586336

1,5-naphthyridine-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

158.04802 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe