CID 68111325

3,5-dimethoxypyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O4
SMILES
COC1=CN=C(C(=N1)OC)C(=O)O
InChI
InChI=1S/C7H8N2O4/c1-12-4-3-8-5(7(10)11)6(9-4)13-2/h3H,1-2H3,(H,10,11)
InChIKey
OZKVFTVZLFSJQX-UHFFFAOYSA-N
Compound name
3,5-dimethoxypyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

184.0484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 134.5
[M+Na]+ 207.037618 144.0
[M-H]- 183.041124 134.9
[M+NH4]+ 202.082223 151.2
[M+K]+ 223.011558 143.4
[M+H-H2O]+ 167.045660 127.6
[M+HCOO]- 229.046601 155.7
[M+CH3COO]- 243.062251 178.6
[M+Na-2H]- 205.023066 140.8
[M]+ 184.04785142 138.1
[M]- 184.04894858 138.1
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