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]+ 179.03726 132.0
[M+Na]+ 201.01920 140.7
[M-H]- 177.02270 135.5
[M+NH4]+ 196.06380 146.8
[M+K]+ 216.99314 138.2
[M+H-H2O]+ 161.02724 126.9
[M+HCOO]- 223.02818 147.3
[M+CH3COO]- 237.04383 177.8
[M+Na-2H]- 199.00465 134.7
[M]+ 178.02943 136.6
[M]- 178.03053 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.