CID 319217

Nsc261224

Structural Information

Molecular Formula
C16H32OS3
SMILES
CCCCCCCCCCCCSSC(=S)OC(C)C
InChI
InChI=1S/C16H32OS3/c1-4-5-6-7-8-9-10-11-12-13-14-19-20-16(18)17-15(2)3/h15H,4-14H2,1-3H3
InChIKey
UGHGHKCBLLVNPH-UHFFFAOYSA-N
Compound name
O-propan-2-yl (dodecyldisulfanyl)methanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.16153 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16881 177.3
[M+Na]+ 359.15075 179.4
[M-H]- 335.15425 174.7
[M+NH4]+ 354.19535 191.3
[M+K]+ 375.12469 172.6
[M+H-H2O]+ 319.15879 169.9
[M+HCOO]- 381.15973 178.6
[M+CH3COO]- 395.17538 211.5
[M+Na-2H]- 357.13620 170.9
[M]+ 336.16098 183.0
[M]- 336.16208 183.0
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.