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
1
Annotation Hits

0
References

2701
Patents

136.01941 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 120.3
[M+Na]+ 159.00863 130.1
[M-H]- 135.01213 125.4
[M+NH4]+ 154.05323 145.3
[M+K]+ 174.98257 130.7
[M+H-H2O]+ 119.01667 117.2
[M+HCOO]- 181.01761 139.2
[M+CH3COO]- 195.03326 166.0
[M+Na-2H]- 156.99408 125.4
[M]+ 136.01886 122.8
[M]- 136.01996 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