CID 5352909

Trisulfide, 1-propenyl, 2-propenyl

Structural Information

Molecular Formula
C6H10S3
SMILES
C/C=C/SSSCC=C
InChI
InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
InChIKey
ABXMBMQLMGNKES-GQCTYLIASA-N
Compound name
(E)-1-(prop-2-enyltrisulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.99446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00174 132.5
[M+Na]+ 200.98368 139.9
[M-H]- 176.98718 132.0
[M+NH4]+ 196.02828 152.6
[M+K]+ 216.95762 133.8
[M+H-H2O]+ 160.99172 127.1
[M+HCOO]- 222.99266 138.7
[M+CH3COO]- 237.00831 180.0
[M+Na-2H]- 198.96913 131.4
[M]+ 177.99391 133.9
[M]- 177.99501 133.9
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