CID 20936

Dipentenedimercaptan

Structural Information

Molecular Formula

C₁₀H₂₀S₂

SMILES

CC1CCC(CC1S)C(C)CS

InChI

InChI=1S/C10H20S2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3

InChIKey

SUNXFMPZAFGPFW-UHFFFAOYSA-N

Compound name

2-methyl-5-(1-sulfanylpropan-2-yl)cyclohexane-1-thiol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1404
Patents: 204.10065 Da
Monoisotopic Mass: 3.7
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]+	205.10793	142.2
[M+Na]+	227.08987	147.6
[M-H]-	203.09337	145.0
[M+NH4]+	222.13447	162.2
[M+K]+	243.06381	144.4
[M+H-H2O]+	187.09791	136.9
[M+HCOO]-	249.09885	149.8
[M+CH3COO]-	263.11450	187.3
[M+Na-2H]-	225.07532	139.2
[M]+	204.10010	141.4
[M]-	204.10120	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe