CID 10866326

6-hydroxynicotinaldehyde

Structural Information

Molecular Formula
C6H5NO2
SMILES
C1=CC(=O)NC=C1C=O
InChI
InChI=1S/C6H5NO2/c8-4-5-1-2-6(9)7-3-5/h1-4H,(H,7,9)
InChIKey
BUMAFTGGYPBHHK-UHFFFAOYSA-N
Compound name
6-oxo-1H-pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

524
Patents

123.03203 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.03931 118.8
[M+Na]+ 146.02125 128.6
[M-H]- 122.02475 120.4
[M+NH4]+ 141.06585 139.2
[M+K]+ 161.99519 126.2
[M+H-H2O]+ 106.02929 113.2
[M+HCOO]- 168.03023 142.4
[M+CH3COO]- 182.04588 165.6
[M+Na-2H]- 144.00670 127.5
[M]+ 123.03148 118.1
[M]- 123.03258 118.1
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