CID 92951807

Thiomenthone

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
trans-(2R,5S)-5-methyl-2-propan-2-ylcyclohexane-1-thione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

28
Patents

170.11292 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.120196 136.9
[M+Na]+ 193.102138 142.7
[M-H]- 169.105644 140.2
[M+NH4]+ 188.146743 158.2
[M+K]+ 209.076078 140.4
[M+H-H2O]+ 153.110180 131.9
[M+HCOO]- 215.111121 150.5
[M+CH3COO]- 229.126771 181.6
[M+Na-2H]- 191.087586 135.9
[M]+ 170.11237142 134.5
[M]- 170.11346858 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.