CID 61926

Allyl methyl trisulfide

Structural Information

Molecular Formula
C4H8S3
SMILES
CSSSCC=C
InChI
InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3
InChIKey
JGMPRNFEEAJLAJ-UHFFFAOYSA-N
Compound name
3-(methyltrisulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

1384
Patents

151.97882 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.98610 124.8
[M+Na]+ 174.96804 132.8
[M-H]- 150.97154 124.6
[M+NH4]+ 170.01264 146.0
[M+K]+ 190.94198 127.7
[M+H-H2O]+ 134.97608 119.7
[M+HCOO]- 196.97702 131.4
[M+CH3COO]- 210.99267 175.8
[M+Na-2H]- 172.95349 124.6
[M]+ 151.97827 126.3
[M]- 151.97937 126.3
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