CID 68210137

1622013-59-5

Structural Information

Molecular Formula
C4H8O3S
SMILES
C1COCC1S(=O)O
InChI
InChI=1S/C4H8O3S/c5-8(6)4-1-2-7-3-4/h4H,1-3H2,(H,5,6)
InChIKey
CWERJIIKHKCLSE-UHFFFAOYSA-N
Compound name
oxolane-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

136.01941 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 124.6
[M+Na]+ 159.00863 131.8
[M-H]- 135.01213 127.7
[M+NH4]+ 154.05323 146.5
[M+K]+ 174.98257 132.3
[M+H-H2O]+ 119.01667 120.4
[M+HCOO]- 181.01761 140.9
[M+CH3COO]- 195.03326 164.4
[M+Na-2H]- 156.99408 127.1
[M]+ 136.01886 124.5
[M]- 136.01996 124.5
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