CID 192747

3-hydroxy-4-formylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

349
Patents

123.03203 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.03931 119.7
[M+Na]+ 146.02125 129.2
[M-H]- 122.02475 121.3
[M+NH4]+ 141.06585 140.2
[M+K]+ 161.99519 127.5
[M+H-H2O]+ 106.02929 114.1
[M+HCOO]- 168.03023 143.2
[M+CH3COO]- 182.04588 166.4
[M+Na-2H]- 144.00670 128.5
[M]+ 123.03148 119.7
[M]- 123.03258 119.7
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