CID 53407820

1256820-18-4

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC1=CC(=NC=C1OC)C(=O)O
InChI
InChI=1S/C8H9NO4/c1-12-6-3-5(8(10)11)9-4-7(6)13-2/h3-4H,1-2H3,(H,10,11)
InChIKey
VHFJYYBVBBFJNT-UHFFFAOYSA-N
Compound name
4,5-dimethoxypyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 134.4
[M+Na]+ 206.04238 143.5
[M-H]- 182.04588 136.0
[M+NH4]+ 201.08698 152.5
[M+K]+ 222.01632 142.8
[M+H-H2O]+ 166.05042 128.1
[M+HCOO]- 228.05136 156.6
[M+CH3COO]- 242.06701 178.8
[M+Na-2H]- 204.02783 140.1
[M]+ 183.05261 137.8
[M]- 183.05371 137.8
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

patents stripe