CID 62474536

4-methanesulfonyloxane-4-carboxylic acid

Structural Information

Molecular Formula
C7H12O5S
SMILES
CS(=O)(=O)C1(CCOCC1)C(=O)O
InChI
InChI=1S/C7H12O5S/c1-13(10,11)7(6(8)9)2-4-12-5-3-7/h2-5H2,1H3,(H,8,9)
InChIKey
DDOKFXZOQMMIEM-UHFFFAOYSA-N
Compound name
4-methylsulfonyloxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

208.04054 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.047816 139.5
[M+Na]+ 231.029758 145.6
[M-H]- 207.033264 142.0
[M+NH4]+ 226.074363 158.3
[M+K]+ 247.003698 145.9
[M+H-H2O]+ 191.037800 135.7
[M+HCOO]- 253.038741 151.9
[M+CH3COO]- 267.054391 176.3
[M+Na-2H]- 229.015206 145.0
[M]+ 208.03999142 139.8
[M]- 208.04108858 139.8
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

patents stripe