CID 21718329

40205-24-1

Structural Information

Molecular Formula
C4H8O2S
SMILES
C/C=C/S(=O)(=O)C
InChI
InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3-4H,1-2H3/b4-3+
InChIKey
IPFWVVDOIDUDIJ-ONEGZZNKSA-N
Compound name
(E)-1-methylsulfonylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

120.0245 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03178 120.0
[M+Na]+ 143.01372 129.3
[M-H]- 119.01722 121.2
[M+NH4]+ 138.05832 143.2
[M+K]+ 158.98766 128.0
[M+H-H2O]+ 103.02176 116.3
[M+HCOO]- 165.02270 138.5
[M+CH3COO]- 179.03835 165.9
[M+Na-2H]- 140.99917 125.1
[M]+ 120.02395 122.8
[M]- 120.02505 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