CID 474280

S-(thiiran-2-ylmethyl) heptanethioate

Structural Information

Molecular Formula
C10H18OS2
SMILES
CCCCCCC(=O)SCC1CS1
InChI
InChI=1S/C10H18OS2/c1-2-3-4-5-6-10(11)13-8-9-7-12-9/h9H,2-8H2,1H3
InChIKey
CVVLXMYFUQANSV-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) heptanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08719 140.8
[M+Na]+ 241.06913 147.7
[M-H]- 217.07263 144.4
[M+NH4]+ 236.11373 155.2
[M+K]+ 257.04307 143.6
[M+H-H2O]+ 201.07717 133.9
[M+HCOO]- 263.07811 152.3
[M+CH3COO]- 277.09376 190.6
[M+Na-2H]- 239.05458 140.2
[M]+ 218.07936 147.1
[M]- 218.08046 147.1
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.