CID 521863

1-(methyldisulfanyl)prop-1-ene

Structural Information

Molecular Formula
C4H8S2
SMILES
CC=CSSC
InChI
InChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3
InChIKey
FUDUFCLRGSEHAJ-UHFFFAOYSA-N
Compound name
1-(methyldisulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

191
Patents

120.006744 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.01402 122.9
[M+Na]+ 142.99596 133.4
[M+NH4]+ 138.04057 132.8
[M+K]+ 158.96990 123.2
[M-H]- 118.99947 123.9
[M+Na-2H]- 140.98141 126.0
[M]+ 120.00620 125.6
[M]- 120.00729 125.6
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