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

2580
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 124.7
[M+Na]+ 159.00863 134.7
[M+NH4]+ 154.05323 134.6
[M+K]+ 174.98257 128.5
[M-H]- 135.01213 126.4
[M+Na-2H]- 156.99408 129.3
[M]+ 136.01886 127.0
[M]- 136.01996 127.0
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