CID 11958939

29082-92-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

723
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

No literature data available for this compound.

Patent stripe

patents stripe