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

735
Patents

153.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 127.5
[M+Na]+ 176.03181 136.2
[M-H]- 152.03531 129.0
[M+NH4]+ 171.07641 146.6
[M+K]+ 192.00575 135.2
[M+H-H2O]+ 136.03985 121.5
[M+HCOO]- 198.04079 149.8
[M+CH3COO]- 212.05644 172.4
[M+Na-2H]- 174.01726 134.5
[M]+ 153.04204 128.7
[M]- 153.04314 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