CID 70716

2,4-butanesultone

Structural Information

Molecular Formula
C4H8O3S
SMILES
CC1CCOS1(=O)=O
InChI
InChI=1S/C4H8O3S/c1-4-2-3-7-8(4,5)6/h4H,2-3H2,1H3
InChIKey
VWEYDBUEGDKEHC-UHFFFAOYSA-N
Compound name
3-methyloxathiolane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1879
Patents

136.01941 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 120.3
[M+Na]+ 159.008628 130.1
[M-H]- 135.012134 125.4
[M+NH4]+ 154.053233 145.3
[M+K]+ 174.982568 130.7
[M+H-H2O]+ 119.016670 117.2
[M+HCOO]- 181.017611 139.2
[M+CH3COO]- 195.033261 166.0
[M+Na-2H]- 156.994076 125.4
[M]+ 136.01886142 122.8
[M]- 136.01995858 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe