CID 69708933

2-(2-hydroxypyridin-4-yl)acetic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CNC(=O)C=C1CC(=O)O
InChI
InChI=1S/C7H7NO3/c9-6-3-5(1-2-8-6)4-7(10)11/h1-3H,4H2,(H,8,9)(H,10,11)
InChIKey
LSMRYOGIHHCHQD-UHFFFAOYSA-N
Compound name
2-(2-oxo-1H-pyridin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 127.5
[M+Na]+ 176.03181 136.1
[M-H]- 152.03531 127.6
[M+NH4]+ 171.07641 145.9
[M+K]+ 192.00575 133.5
[M+H-H2O]+ 136.03985 121.8
[M+HCOO]- 198.04079 148.5
[M+CH3COO]- 212.05644 169.1
[M+Na-2H]- 174.01726 133.9
[M]+ 153.04204 126.1
[M]- 153.04314 126.1
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