CID 15207346

3-(methoxycarbonyl)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C7H6N2O4
SMILES
COC(=O)C1=NC=CN=C1C(=O)O
InChI
InChI=1S/C7H6N2O4/c1-13-7(12)5-4(6(10)11)8-2-3-9-5/h2-3H,1H3,(H,10,11)
InChIKey
ZKBPWGREDZWROM-UHFFFAOYSA-N
Compound name
3-methoxycarbonylpyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

182.03276 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 133.7
[M+Na]+ 205.02198 142.4
[M-H]- 181.02548 133.8
[M+NH4]+ 200.06658 150.1
[M+K]+ 220.99592 141.7
[M+H-H2O]+ 165.03002 126.7
[M+HCOO]- 227.03096 154.1
[M+CH3COO]- 241.04661 176.8
[M+Na-2H]- 203.00743 139.5
[M]+ 182.03221 135.4
[M]- 182.03331 135.4
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

patents stripe