CID 65699688

2-cyclopropyl-2-methanesulfonylaceticacid

Structural Information

Molecular Formula
C6H10O4S
SMILES
CS(=O)(=O)C(C1CC1)C(=O)O
InChI
InChI=1S/C6H10O4S/c1-11(9,10)5(6(7)8)4-2-3-4/h4-5H,2-3H2,1H3,(H,7,8)
InChIKey
ULYOAUQEKKBNJJ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-methylsulfonylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.02998 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.037256 132.0
[M+Na]+ 201.019198 140.7
[M-H]- 177.022704 135.5
[M+NH4]+ 196.063803 146.8
[M+K]+ 216.993138 138.2
[M+H-H2O]+ 161.027240 126.9
[M+HCOO]- 223.028181 147.3
[M+CH3COO]- 237.043831 177.8
[M+Na-2H]- 199.004646 134.7
[M]+ 178.02943142 136.6
[M]- 178.03052858 136.6
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.