CID 2724015

3-ethyl-2,5-dihydrothiophene 1,1-dioxide

Structural Information

Molecular Formula
C6H10O2S
SMILES
CCC1=CCS(=O)(=O)C1
InChI
InChI=1S/C6H10O2S/c1-2-6-3-4-9(7,8)5-6/h3H,2,4-5H2,1H3
InChIKey
LQENBVCXBPWHIX-UHFFFAOYSA-N
Compound name
3-ethyl-2,5-dihydrothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

146.04015 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.047426 125.4
[M+Na]+ 169.029368 135.6
[M-H]- 145.032874 130.0
[M+NH4]+ 164.073973 151.5
[M+K]+ 185.003308 134.0
[M+H-H2O]+ 129.037410 121.9
[M+HCOO]- 191.038351 145.8
[M+CH3COO]- 205.054001 169.7
[M+Na-2H]- 167.014816 129.3
[M]+ 146.03960142 128.1
[M]- 146.04069858 128.1
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