CID 3056986

Tert-nonylthioethanol

Structural Information

Molecular Formula

C₁₁H₂₄OS

SMILES

CCCCCCC(C)(C)SCCO

InChI

InChI=1S/C11H24OS/c1-4-5-6-7-8-11(2,3)13-10-9-12/h12H,4-10H2,1-3H3

InChIKey

TWOJWLVVIFAAOT-UHFFFAOYSA-N

Compound name

2-(2-methyloctan-2-ylsulfanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.15479 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.16207	151.8
[M+Na]+	227.14401	160.4
[M+NH4]+	222.18861	159.6
[M+K]+	243.11795	152.3
[M-H]-	203.14751	150.8
[M+Na-2H]-	225.12946	153.5
[M]+	204.15424	153.2
[M]-	204.15534	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.