CID 12413701

4-methyldihydrothiophen-3(2h)-one

Structural Information

Molecular Formula
C5H8OS
SMILES
CC1CSCC1=O
InChI
InChI=1S/C5H8OS/c1-4-2-7-3-5(4)6/h4H,2-3H2,1H3
InChIKey
CGCRKRJUWOOJMO-UHFFFAOYSA-N
Compound name
4-methylthiolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

116.02959 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.03687 122.7
[M+Na]+ 139.01881 132.9
[M+NH4]+ 134.06341 132.6
[M+K]+ 154.99275 126.9
[M-H]- 115.02231 124.5
[M+Na-2H]- 137.00426 126.8
[M]+ 116.02904 124.9
[M]- 116.03014 124.9
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