CID 4739522

2137720-89-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

151.02695 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.034226 126.1
[M+Na]+ 174.016168 135.1
[M-H]- 150.019674 127.6
[M+NH4]+ 169.060773 145.3
[M+K]+ 189.990108 133.6
[M+H-H2O]+ 134.024210 120.2
[M+HCOO]- 196.025151 148.7
[M+CH3COO]- 210.040801 171.6
[M+Na-2H]- 172.001616 133.1
[M]+ 151.02640142 126.6
[M]- 151.02749858 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

No literature data available for this compound.

Patent stripe

patents stripe