CID 65988661

2703782-30-1

Structural Information

Molecular Formula
C6H10O5S
SMILES
CS(=O)(=O)C1(CC(C1)O)C(=O)O
InChI
InChI=1S/C6H10O5S/c1-12(10,11)6(5(8)9)2-4(7)3-6/h4,7H,2-3H2,1H3,(H,8,9)
InChIKey
DFDPJYAMMCGSQU-UHFFFAOYSA-N
Compound name
3-hydroxy-1-methylsulfonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02489 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03217 135.7
[M+Na]+ 217.01411 140.8
[M-H]- 193.01761 136.4
[M+NH4]+ 212.05871 148.9
[M+K]+ 232.98805 142.6
[M+H-H2O]+ 177.02215 126.8
[M+HCOO]- 239.02309 148.0
[M+CH3COO]- 253.03874 177.0
[M+Na-2H]- 214.99956 138.7
[M]+ 194.02434 145.4
[M]- 194.02544 145.4
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

No patent data available for this compound.