CID 62434

Allyl methyl disulfide

Structural Information

Molecular Formula
C4H8S2
SMILES
CSSCC=C
InChI
InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3
InChIKey
XNZOTQPMYMCTBZ-UHFFFAOYSA-N
Compound name
3-(methyldisulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

15
References

673
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 118.9
[M+Na]+ 142.99596 127.2
[M-H]- 118.99947 119.6
[M+NH4]+ 138.04057 142.0
[M+K]+ 158.96990 124.4
[M+H-H2O]+ 103.00400 114.4
[M+HCOO]- 165.00494 131.9
[M+CH3COO]- 179.02060 169.6
[M+Na-2H]- 140.98141 120.5
[M]+ 120.00620 121.4
[M]- 120.00729 121.4
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.