CID 529381

1-methylsulfonylsulfanylprop-1-ene

Structural Information

Molecular Formula
C4H8O2S2
SMILES
CC=CSS(=O)(=O)C
InChI
InChI=1S/C4H8O2S2/c1-3-4-7-8(2,5)6/h3-4H,1-2H3
InChIKey
PGMBAYKBYBXNNR-UHFFFAOYSA-N
Compound name
1-methylsulfonylsulfanylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.99657 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.00385 127.8
[M+Na]+ 174.98579 136.6
[M-H]- 150.98929 128.4
[M+NH4]+ 170.03039 149.5
[M+K]+ 190.95973 133.5
[M+H-H2O]+ 134.99383 123.3
[M+HCOO]- 196.99477 140.2
[M+CH3COO]- 211.01042 171.1
[M+Na-2H]- 172.97124 130.1
[M]+ 151.99602 131.0
[M]- 151.99712 131.0
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

No patent data available for this compound.