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 136.9
[M+Na]+ 193.10214 142.7
[M-H]- 169.10564 140.2
[M+NH4]+ 188.14674 158.2
[M+K]+ 209.07608 140.4
[M+H-H2O]+ 153.11018 131.9
[M+HCOO]- 215.11112 150.5
[M+CH3COO]- 229.12677 181.6
[M+Na-2H]- 191.08759 135.9
[M]+ 170.11237 134.5
[M]- 170.11347 134.5
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.