CID 10351733

2-methylidene-1lambda6-thiolane-1,1-dione

Structural Information

Molecular Formula
C5H8O2S
SMILES
C=C1CCCS1(=O)=O
InChI
InChI=1S/C5H8O2S/c1-5-3-2-4-8(5,6)7/h1-4H2
InChIKey
DORBHRIAVFQFBG-UHFFFAOYSA-N
Compound name
2-methylidenethiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

132.0245 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.03178 122.0
[M+Na]+ 155.01372 131.7
[M-H]- 131.01722 126.3
[M+NH4]+ 150.05832 148.3
[M+K]+ 170.98766 130.1
[M+H-H2O]+ 115.02176 118.7
[M+HCOO]- 177.02270 141.3
[M+CH3COO]- 191.03835 166.2
[M+Na-2H]- 152.99917 125.4
[M]+ 132.02395 122.2
[M]- 132.02505 122.2
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