CID 197115

2-[2-(9,9-dimethyldecylsulfanyl)ethoxy]ethanol

Structural Information

Molecular Formula
C16H34O2S
SMILES
CC(C)(C)CCCCCCCCSCCOCCO
InChI
InChI=1S/C16H34O2S/c1-16(2,3)10-8-6-4-5-7-9-14-19-15-13-18-12-11-17/h17H,4-15H2,1-3H3
InChIKey
RPMGCDFPDJACFM-UHFFFAOYSA-N
Compound name
2-[2-(9,9-dimethyldecylsulfanyl)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

290.22797 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23525 176.7
[M+Na]+ 313.21719 179.6
[M-H]- 289.22069 174.0
[M+NH4]+ 308.26179 192.6
[M+K]+ 329.19113 176.1
[M+H-H2O]+ 273.22523 170.6
[M+HCOO]- 335.22617 189.3
[M+CH3COO]- 349.24182 202.0
[M+Na-2H]- 311.20264 175.5
[M]+ 290.22742 184.2
[M]- 290.22852 184.2
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