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

23
Patents

136.01941 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 124.6
[M+Na]+ 159.008628 131.8
[M-H]- 135.012134 127.7
[M+NH4]+ 154.053233 146.5
[M+K]+ 174.982568 132.3
[M+H-H2O]+ 119.016670 120.4
[M+HCOO]- 181.017611 140.9
[M+CH3COO]- 195.033261 164.4
[M+Na-2H]- 156.994076 127.1
[M]+ 136.01886142 124.5
[M]- 136.01995858 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