CID 284760

2-ethylhexyl sulfide

Structural Information

Molecular Formula
C16H34S
SMILES
CCCCC(CC)CSCC(CC)CCCC
InChI
InChI=1S/C16H34S/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKey
UGASTCGQAJBUOO-UHFFFAOYSA-N
Compound name
3-(2-ethylhexylsulfanylmethyl)heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

258.23813 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.24541 169.5
[M+Na]+ 281.22735 172.1
[M-H]- 257.23085 168.3
[M+NH4]+ 276.27195 187.2
[M+K]+ 297.20129 169.2
[M+H-H2O]+ 241.23539 163.1
[M+HCOO]- 303.23633 182.5
[M+CH3COO]- 317.25198 202.9
[M+Na-2H]- 279.21280 165.6
[M]+ 258.23758 175.4
[M]- 258.23868 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

No patent data available for this compound.