CID 819942

2-methoxyisonicotinic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
COC1=NC=CC(=C1)C(=O)O
InChI
InChI=1S/C7H7NO3/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4H,1H3,(H,9,10)
InChIKey
DPNDWFVORIGXQO-UHFFFAOYSA-N
Compound name
2-methoxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

635
Patents

153.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.7
[M+Na]+ 176.03181 141.0
[M+NH4]+ 171.07641 136.0
[M+K]+ 192.00575 136.4
[M-H]- 152.03531 128.9
[M+Na-2H]- 174.01726 134.9
[M]+ 153.04204 130.3
[M]- 153.04314 130.3
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