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
6
Annotation Hits

2
References

2465
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 137.2
[M+Na]+ 193.10214 143.6
[M-H]- 169.10564 140.7
[M+NH4]+ 188.14674 158.6
[M+K]+ 209.07608 141.6
[M+H-H2O]+ 153.11018 132.3
[M+HCOO]- 215.11112 151.7
[M+CH3COO]- 229.12677 180.5
[M+Na-2H]- 191.08759 139.6
[M]+ 170.11237 136.8
[M]- 170.11347 136.8
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.