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

12
Patents

208.04054 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04782 139.5
[M+Na]+ 231.02976 145.6
[M-H]- 207.03326 142.0
[M+NH4]+ 226.07436 158.3
[M+K]+ 247.00370 145.9
[M+H-H2O]+ 191.03780 135.7
[M+HCOO]- 253.03874 151.9
[M+CH3COO]- 267.05439 176.3
[M+Na-2H]- 229.01521 145.0
[M]+ 208.03999 139.8
[M]- 208.04109 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