CID 18448928

5-formylpicolinic acid

Structural Information

Molecular Formula
C7H5NO3
SMILES
C1=CC(=NC=C1C=O)C(=O)O
InChI
InChI=1S/C7H5NO3/c9-4-5-1-2-6(7(10)11)8-3-5/h1-4H,(H,10,11)
InChIKey
HBNWKIVJXHRLQM-UHFFFAOYSA-N
Compound name
5-formylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

151.02695 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 128.0
[M+Na]+ 174.01617 140.3
[M+NH4]+ 169.06077 135.0
[M+K]+ 189.99011 135.7
[M-H]- 150.01967 127.9
[M+Na-2H]- 172.00162 134.1
[M]+ 151.02640 129.5
[M]- 151.02750 129.5
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