CID 176472591

2-[2-(2-oxoethoxy)ethylsulfonyl]acetic acid

Structural Information

Molecular Formula
C6H10O6S
SMILES
C(CS(=O)(=O)CC(=O)O)OCC=O
InChI
InChI=1S/C6H10O6S/c7-1-2-12-3-4-13(10,11)5-6(8)9/h1H,2-5H2,(H,8,9)
InChIKey
PZBKRIZBKFOUCH-UHFFFAOYSA-N
Compound name
2-[2-(2-oxoethoxy)ethylsulfonyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0198 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.027076 140.3
[M+Na]+ 233.009018 147.5
[M-H]- 209.012524 139.2
[M+NH4]+ 228.053623 158.4
[M+K]+ 248.982958 146.3
[M+H-H2O]+ 193.017060 135.4
[M+HCOO]- 255.018001 156.7
[M+CH3COO]- 269.033651 178.2
[M+Na-2H]- 230.994466 143.5
[M]+ 210.01925142 146.4
[M]- 210.02034858 146.4
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.