CID 146100718

2411201-55-1

Structural Information

Molecular Formula
C8H7N3O4S
SMILES
CS(=O)(=O)C1=CN2C(=C(C=N2)C(=O)O)N=C1
InChI
InChI=1S/C8H7N3O4S/c1-16(14,15)5-2-9-7-6(8(12)13)3-10-11(7)4-5/h2-4H,1H3,(H,12,13)
InChIKey
GMQJJQZTGLGZBY-UHFFFAOYSA-N
Compound name
6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01573 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02301 149.7
[M+Na]+ 264.00495 161.0
[M+NH4]+ 259.04955 155.0
[M+K]+ 279.97889 157.9
[M-H]- 240.00845 147.2
[M+Na-2H]- 261.99040 153.1
[M]+ 241.01518 150.8
[M]- 241.01628 150.8
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.