CID 109332

2,8-epithio-p-menthane

Structural Information

Molecular Formula
C10H18S
SMILES
CC1CCC2CC1SC2(C)C
InChI
InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey
FAXNZPOZWCWYBD-UHFFFAOYSA-N
Compound name
4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

246
Patents

170.11292 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12020 136.9
[M+Na]+ 193.10214 144.7
[M-H]- 169.10564 139.9
[M+NH4]+ 188.14674 164.0
[M+K]+ 209.07608 142.4
[M+H-H2O]+ 153.11018 133.6
[M+HCOO]- 215.11112 150.6
[M+CH3COO]- 229.12677 180.2
[M+Na-2H]- 191.08759 139.3
[M]+ 170.11237 136.6
[M]- 170.11347 136.6
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.