CID 18994009

1-cyclohexylethane-1-thiol

Structural Information

Molecular Formula

C₈H₁₆S

SMILES

CC(C1CCCCC1)S

InChI

InChI=1S/C8H16S/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3

InChIKey

ZXQYPARNFOKKKR-UHFFFAOYSA-N

Compound name

1-cyclohexylethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 144.09727 Da
Monoisotopic Mass: 3.3
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]+	145.104546	131.0
[M+Na]+	167.086488	135.6
[M-H]-	143.089994	133.9
[M+NH4]+	162.131093	152.8
[M+K]+	183.060428	134.5
[M+H-H2O]+	127.094530	125.8
[M+HCOO]-	189.095471	145.2
[M+CH3COO]-	203.111121	174.3
[M+Na-2H]-	165.071936	132.2
[M]+	144.09672142	127.9
[M]-	144.09781858	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe