CID 15290

Cyclohexanethiol

Structural Information

Molecular Formula

C₆H₁₂S

SMILES

C1CCC(CC1)S

InChI

InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

InChIKey

CMKBCTPCXZNQKX-UHFFFAOYSA-N

Compound name

cyclohexanethiol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 17701
Patents: 116.06597 Da
Monoisotopic Mass: 2.7
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]+	117.07325	122.2
[M+Na]+	139.05519	133.5
[M+NH4]+	134.09979	133.1
[M+K]+	155.02913	124.7
[M-H]-	115.05869	125.5
[M+Na-2H]-	137.04064	128.2
[M]+	116.06542	125.2
[M]-	116.06652	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe