CID 21901933

2193061-46-8

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CC(=C(N=C1)C(=O)O)CO
InChI
InChI=1S/C7H7NO3/c9-4-5-2-1-3-8-6(5)7(10)11/h1-3,9H,4H2,(H,10,11)
InChIKey
SKBJYRPOZXOUIG-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

153.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 129.3
[M+Na]+ 176.03181 141.0
[M+NH4]+ 171.07641 136.2
[M+K]+ 192.00575 136.8
[M-H]- 152.03531 128.9
[M+Na-2H]- 174.01726 134.8
[M]+ 153.04204 130.6
[M]- 153.04314 130.6
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