CID 45357333

2413876-65-8

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=NC(=CC=C1)C(C(=O)O)O
InChI
InChI=1S/C8H9NO3/c1-5-3-2-4-6(9-5)7(10)8(11)12/h2-4,7,10H,1H3,(H,11,12)
InChIKey
SXTABPKZGDVSOE-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

167.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 133.0
[M+Na]+ 190.047458 140.6
[M-H]- 166.050964 133.0
[M+NH4]+ 185.092063 150.8
[M+K]+ 206.021398 139.0
[M+H-H2O]+ 150.055500 127.1
[M+HCOO]- 212.056441 152.5
[M+CH3COO]- 226.072091 173.9
[M+Na-2H]- 188.032906 137.7
[M]+ 167.05769142 132.0
[M]- 167.05878858 132.0
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