CID 22748462

2-hexyldecane-1-thiol

Structural Information

Molecular Formula
C16H34S
SMILES
CCCCCCCCC(CCCCCC)CS
InChI
InChI=1S/C16H34S/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
InChIKey
YCKXQNXSFUHWSO-UHFFFAOYSA-N
Compound name
2-hexyldecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

258.23813 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.245406 168.9
[M+Na]+ 281.227348 171.8
[M-H]- 257.230854 167.6
[M+NH4]+ 276.271953 186.7
[M+K]+ 297.201288 168.4
[M+H-H2O]+ 241.235390 162.5
[M+HCOO]- 303.236331 183.0
[M+CH3COO]- 317.251981 202.1
[M+Na-2H]- 279.212796 166.1
[M]+ 258.23758142 175.4
[M]- 258.23867858 175.4
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