CID 22668209

2-(pyridin-3-yloxy)propanoic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC(C(=O)O)OC1=CN=CC=C1
InChI
InChI=1S/C8H9NO3/c1-6(8(10)11)12-7-3-2-4-9-5-7/h2-6H,1H3,(H,10,11)
InChIKey
ZREDEAUTHWGQBB-UHFFFAOYSA-N
Compound name
2-pyridin-3-yloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

167.05824 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe