CID 165994160

2-(5,6-dimethoxypyridin-3-yl)acetic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
COC1=C(N=CC(=C1)CC(=O)O)OC
InChI
InChI=1S/C9H11NO4/c1-13-7-3-6(4-8(11)12)5-10-9(7)14-2/h3,5H,4H2,1-2H3,(H,11,12)
InChIKey
GMFZVWNJUBQUHN-UHFFFAOYSA-N
Compound name
2-(5,6-dimethoxypyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 139.0
[M+Na]+ 220.05802 147.7
[M-H]- 196.06152 140.5
[M+NH4]+ 215.10262 156.6
[M+K]+ 236.03196 146.8
[M+H-H2O]+ 180.06606 132.6
[M+HCOO]- 242.06700 160.9
[M+CH3COO]- 256.08265 181.8
[M+Na-2H]- 218.04347 144.3
[M]+ 197.06825 142.8
[M]- 197.06935 142.8
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.