CID 14061384

499214-11-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

151.02695 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 126.1
[M+Na]+ 174.01617 135.1
[M-H]- 150.01967 127.6
[M+NH4]+ 169.06077 145.3
[M+K]+ 189.99011 133.6
[M+H-H2O]+ 134.02421 120.2
[M+HCOO]- 196.02515 148.7
[M+CH3COO]- 210.04080 171.6
[M+Na-2H]- 172.00162 133.1
[M]+ 151.02640 126.6
[M]- 151.02750 126.6
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