CID 56604726

1349716-17-1

Structural Information

Molecular Formula
C5H8O4S
SMILES
C1CC1S(=O)(=O)CC(=O)O
InChI
InChI=1S/C5H8O4S/c6-5(7)3-10(8,9)4-1-2-4/h4H,1-3H2,(H,6,7)
InChIKey
FLLAPTFQWZOVIZ-UHFFFAOYSA-N
Compound name
2-cyclopropylsulfonylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.01433 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.021606 129.1
[M+Na]+ 187.003548 138.4
[M-H]- 163.007054 132.6
[M+NH4]+ 182.048153 144.4
[M+K]+ 202.977488 135.7
[M+H-H2O]+ 147.011590 123.9
[M+HCOO]- 209.012531 145.6
[M+CH3COO]- 223.028181 174.1
[M+Na-2H]- 184.988996 133.1
[M]+ 164.01378142 133.9
[M]- 164.01487858 133.9
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.