CID 92951807

Dtxsid7051397

Structural Information

Molecular Formula
C10H18S
SMILES
C[C@H]1CC[C@@H](C(=S)C1)C(C)C
InChI
InChI=1S/C10H18S/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKey
MUUULGAGZBWUDA-DTWKUNHWSA-N
Compound name
(2R,5S)-5-methyl-2-propan-2-ylcyclohexane-1-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

170.11292 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12020 139.1
[M+Na]+ 193.10214 150.0
[M+NH4]+ 188.14674 149.0
[M+K]+ 209.07608 141.3
[M-H]- 169.10564 141.9
[M+Na-2H]- 191.08759 143.2
[M]+ 170.11237 141.9
[M]- 170.11347 141.9
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.