CID 111429

68921-82-4

Structural Information

Molecular Formula

C₁₀H₁₈S

SMILES

CC(=C)C1CCC(CC1)(C)S

InChI

InChI=1S/C10H18S/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3

InChIKey

NNHMUEBTWCOFED-UHFFFAOYSA-N

Compound name

1-methyl-4-prop-1-en-2-ylcyclohexane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 170.11292 Da
Monoisotopic Mass: 3.5
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]+	171.12020	136.5
[M+Na]+	193.10214	142.2
[M-H]-	169.10564	139.7
[M+NH4]+	188.14674	159.5
[M+K]+	209.07608	140.3
[M+H-H2O]+	153.11018	132.2
[M+HCOO]-	215.11112	150.2
[M+CH3COO]-	229.12677	180.0
[M+Na-2H]-	191.08759	137.5
[M]+	170.11237	134.1
[M]-	170.11347	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe