CID 53726631

4-formylpyridine-2-carboxylic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 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

No literature data available for this compound.

Patent stripe

patents stripe