CID 708093

2-methoxynicotinic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
COC1=C(C=CC=N1)C(=O)O
InChI
InChI=1S/C7H7NO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)
InChIKey
FTEZJSXSARPZHJ-UHFFFAOYSA-N
Compound name
2-methoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1007
Patents

153.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 127.5
[M+Na]+ 176.031808 136.2
[M-H]- 152.035314 129.0
[M+NH4]+ 171.076413 146.6
[M+K]+ 192.005748 135.2
[M+H-H2O]+ 136.039850 121.5
[M+HCOO]- 198.040791 149.8
[M+CH3COO]- 212.056441 172.4
[M+Na-2H]- 174.017256 134.5
[M]+ 153.04204142 128.7
[M]- 153.04313858 128.7
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