CID 141160533

2-octyldodecane-1-thiol

Structural Information

Molecular Formula
C20H42S
SMILES
CCCCCCCCCCC(CCCCCCCC)CS
InChI
InChI=1S/C20H42S/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKey
CMKOOSOQAMLVDT-UHFFFAOYSA-N
Compound name
2-octyldodecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

314.30072 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.30800 185.8
[M+Na]+ 337.28994 193.5
[M+NH4]+ 332.33454 193.1
[M+K]+ 353.26388 182.2
[M-H]- 313.29344 185.9
[M+Na-2H]- 335.27539 186.2
[M]+ 314.30017 187.3
[M]- 314.30127 187.3
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

patents stripe