CID 20311069

2-(pyridin-2-yloxy)propanoic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC(C(=O)O)OC1=CC=CC=N1
InChI
InChI=1S/C8H9NO3/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)
InChIKey
INLOHHUITHYIOO-UHFFFAOYSA-N
Compound name
2-pyridin-2-yloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

167.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.8
[M+Na]+ 190.047458 139.9
[M-H]- 166.050964 133.8
[M+NH4]+ 185.092063 151.0
[M+K]+ 206.021398 139.1
[M+H-H2O]+ 150.055500 126.4
[M+HCOO]- 212.056441 153.8
[M+CH3COO]- 226.072091 175.2
[M+Na-2H]- 188.032906 138.7
[M]+ 167.05769142 133.3
[M]- 167.05878858 133.3
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