CID 6427135

1-p-menthene-8-thiol

Structural Information

Molecular Formula
C10H18S
SMILES
CC1=CCC(CC1)C(C)(C)S
InChI
InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
InChIKey
ZQPCOAKGRYBBMR-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)propane-2-thiol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

2251
Patents

170.11292 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12020 139.4
[M+Na]+ 193.10214 150.9
[M+NH4]+ 188.14674 149.5
[M+K]+ 209.07608 142.3
[M-H]- 169.10564 142.1
[M+Na-2H]- 191.08759 144.9
[M]+ 170.11237 142.5
[M]- 170.11347 142.5
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