CID 165694057

En300-1991136

Structural Information

Molecular Formula
C6H10O4S
SMILES
CS(=O)(=O)C[C@@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C6H10O4S/c1-11(9,10)3-4-2-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5+/m0/s1
InChIKey
AQBAOJGVJUMINY-CRCLSJGQSA-N
Compound name
cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.02998 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.037256 132.2
[M+Na]+ 201.019198 141.9
[M-H]- 177.022704 135.9
[M+NH4]+ 196.063803 147.3
[M+K]+ 216.993138 138.9
[M+H-H2O]+ 161.027240 127.1
[M+HCOO]- 223.028181 148.3
[M+CH3COO]- 237.043831 178.1
[M+Na-2H]- 199.004646 135.2
[M]+ 178.02943142 137.7
[M]- 178.03052858 137.7
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.