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
(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]+ 179.03726 132.2
[M+Na]+ 201.01920 141.9
[M-H]- 177.02270 135.9
[M+NH4]+ 196.06380 147.3
[M+K]+ 216.99314 138.9
[M+H-H2O]+ 161.02724 127.1
[M+HCOO]- 223.02818 148.3
[M+CH3COO]- 237.04383 178.1
[M+Na-2H]- 199.00465 135.2
[M]+ 178.02943 137.7
[M]- 178.03053 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.