CID 6427135

71159-90-5

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

3133
Patents

170.11292 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.120196 137.2
[M+Na]+ 193.102138 143.6
[M-H]- 169.105644 140.7
[M+NH4]+ 188.146743 158.6
[M+K]+ 209.076078 141.6
[M+H-H2O]+ 153.110180 132.3
[M+HCOO]- 215.111121 151.7
[M+CH3COO]- 229.126771 180.5
[M+Na-2H]- 191.087586 139.6
[M]+ 170.11237142 136.8
[M]- 170.11346858 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

literature stripe

Patent stripe

patents stripe