CID 3159630

2-(pyridin-3-yloxy)acetic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CC(=CN=C1)OCC(=O)O
InChI
InChI=1S/C7H7NO3/c9-7(10)5-11-6-2-1-3-8-4-6/h1-4H,5H2,(H,9,10)
InChIKey
MBEPWLCDXKKANL-UHFFFAOYSA-N
Compound name
2-pyridin-3-yloxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

363
Patents

153.04259 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.0
[M+Na]+ 176.03181 135.8
[M-H]- 152.03531 129.1
[M+NH4]+ 171.07641 146.8
[M+K]+ 192.00575 134.8
[M+H-H2O]+ 136.03985 121.7
[M+HCOO]- 198.04079 150.4
[M+CH3COO]- 212.05644 171.3
[M+Na-2H]- 174.01726 135.7
[M]+ 153.04204 128.8
[M]- 153.04314 128.8
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