CID 140048

3-methanesulfonylprop-1-ene

Structural Information

Molecular Formula
C4H8O2S
SMILES
CS(=O)(=O)CC=C
InChI
InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3
InChIKey
WOPDMJYIAAXDMN-UHFFFAOYSA-N
Compound name
3-methylsulfonylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1216
Patents

120.0245 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03178 119.8
[M+Na]+ 143.01372 129.1
[M-H]- 119.01722 121.0
[M+NH4]+ 138.05832 142.9
[M+K]+ 158.98766 127.7
[M+H-H2O]+ 103.02176 116.0
[M+HCOO]- 165.02270 138.3
[M+CH3COO]- 179.03835 166.6
[M+Na-2H]- 140.99917 124.9
[M]+ 120.02395 122.7
[M]- 120.02505 122.7
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