CID 15014880

4-methylcyclohexane-1-thiol

Structural Information

Molecular Formula

C₇H₁₄S

SMILES

CC1CCC(CC1)S

InChI

InChI=1S/C7H14S/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3

InChIKey

JYGRMXYSBUHFOS-UHFFFAOYSA-N

Compound name

4-methylcyclohexane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 130.08162 Da
Monoisotopic Mass: 2.8
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]+	131.08890	125.5
[M+Na]+	153.07084	131.8
[M-H]-	129.07434	128.9
[M+NH4]+	148.11544	148.3
[M+K]+	169.04478	130.4
[M+H-H2O]+	113.07888	120.7
[M+HCOO]-	175.07982	141.0
[M+CH3COO]-	189.09547	171.5
[M+Na-2H]-	151.05629	127.7
[M]+	130.08107	123.0
[M]-	130.08217	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe