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
5
Annotation Hits

0
References

279
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

literature stripe

Patent stripe

patents stripe