CID 130121812

2731010-93-6

Structural Information

Molecular Formula
C7H7FN2O3
SMILES
COC1=C(C(=CN=C1C(=O)O)F)N
InChI
InChI=1S/C7H7FN2O3/c1-13-6-4(9)3(8)2-10-5(6)7(11)12/h2H,1H3,(H2,9,10)(H,11,12)
InChIKey
HNJIEQJYJCZHBZ-UHFFFAOYSA-N
Compound name
4-amino-5-fluoro-3-methoxypyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.04407 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05135 134.4
[M+Na]+ 209.03329 144.0
[M-H]- 185.03679 134.6
[M+NH4]+ 204.07789 152.0
[M+K]+ 225.00723 142.2
[M+H-H2O]+ 169.04133 127.3
[M+HCOO]- 231.04227 156.0
[M+CH3COO]- 245.05792 182.0
[M+Na-2H]- 207.01874 138.4
[M]+ 186.04352 133.4
[M]- 186.04462 133.4
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

No patent data available for this compound.