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

1523
Patents

204.10065 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.