CID 292851

Ethyl nonyl sulfide

Structural Information

Molecular Formula
C11H24S
SMILES
CCCCCCCCCSCC
InChI
InChI=1S/C11H24S/c1-3-5-6-7-8-9-10-11-12-4-2/h3-11H2,1-2H3
InChIKey
LUAABLIRQSWMGZ-UHFFFAOYSA-N
Compound name
1-ethylsulfanylnonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

188.15987 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.167146 146.1
[M+Na]+ 211.149088 151.4
[M-H]- 187.152594 145.8
[M+NH4]+ 206.193693 166.8
[M+K]+ 227.123028 149.0
[M+H-H2O]+ 171.157130 140.6
[M+HCOO]- 233.158071 162.8
[M+CH3COO]- 247.173721 186.5
[M+Na-2H]- 209.134536 147.0
[M]+ 188.15932142 151.4
[M]- 188.16041858 151.4
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