CID 3013987

Sodium 2,3-epoxypropane-1-sulphonate

Structural Information

Molecular Formula
C3H6O4S
SMILES
C1C(O1)CS(=O)(=O)O
InChI
InChI=1S/C3H6O4S/c4-8(5,6)2-3-1-7-3/h3H,1-2H2,(H,4,5,6)
InChIKey
AIIAHNREQDTRFI-UHFFFAOYSA-N
Compound name
oxiran-2-ylmethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

437
Patents

137.99867 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.005946 121.4
[M+Na]+ 160.987888 131.8
[M-H]- 136.991394 126.0
[M+NH4]+ 156.032493 136.8
[M+K]+ 176.961828 130.8
[M+H-H2O]+ 120.995930 116.2
[M+HCOO]- 182.996871 138.5
[M+CH3COO]- 197.012521 168.4
[M+Na-2H]- 158.973336 128.4
[M]+ 137.99812142 127.2
[M]- 137.99921858 127.2
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