CID 69662

Decyl sulfide

Structural Information

Molecular Formula
C20H42S
SMILES
CCCCCCCCCCSCCCCCCCCCC
InChI
InChI=1S/C20H42S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey
RKYMVQJWYYOIJB-UHFFFAOYSA-N
Compound name
1-decylsulfanyldecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

675
Patents

314.30072 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.30800 185.2
[M+Na]+ 337.28994 186.6
[M-H]- 313.29344 183.0
[M+NH4]+ 332.33454 200.7
[M+K]+ 353.26388 181.7
[M+H-H2O]+ 297.29798 177.8
[M+HCOO]- 359.29892 199.0
[M+CH3COO]- 373.31457 213.2
[M+Na-2H]- 335.27539 181.6
[M]+ 314.30017 193.8
[M]- 314.30127 193.8
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