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

4
Annotation Hits: 4
References: 20779
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	121.7
[M+Na]+	139.05519	127.5
[M-H]-	115.05869	125.0
[M+NH4]+	134.09979	144.8
[M+K]+	155.02913	126.5
[M+H-H2O]+	99.063230	116.8
[M+HCOO]-	161.06417	137.6
[M+CH3COO]-	175.07982	167.5
[M+Na-2H]-	137.04064	125.1
[M]+	116.06542	118.5
[M]-	116.06652	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe