CID 21156049

71820-48-9

Structural Information

Molecular Formula

C₁₀H₁₈S

SMILES

CC1=CCCC(C1CS)(C)C

InChI

InChI=1S/C10H18S/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3

InChIKey

AVZCLGHLTWUBHI-UHFFFAOYSA-N

Compound name

(2,6,6-trimethylcyclohex-2-en-1-yl)methanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.11292 Da
Monoisotopic Mass: 3.1
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	137.7
[M+Na]+	193.10214	150.0
[M+NH4]+	188.14674	149.5
[M+K]+	209.07608	138.9
[M-H]-	169.10564	141.1
[M+Na-2H]-	191.08759	144.9
[M]+	170.11237	141.2
[M]-	170.11347	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.