CID 119030966

6-methanesulfonylpyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O4S
SMILES
CS(=O)(=O)C1=NC(=CN=C1)C(=O)O
InChI
InChI=1S/C6H6N2O4S/c1-13(11,12)5-3-7-2-4(8-5)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey
MIDCPVOPLSZIGB-UHFFFAOYSA-N
Compound name
6-methylsulfonylpyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00482 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01210 140.1
[M+Na]+ 224.99404 150.9
[M+NH4]+ 220.03864 145.5
[M+K]+ 240.96798 146.3
[M-H]- 200.99754 138.0
[M+Na-2H]- 222.97949 144.2
[M]+ 202.00427 141.2
[M]- 202.00537 141.2
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.