CID 14564587

Dtxsid40868141

Structural Information

Molecular Formula
C15H24S
SMILES
CC(C)C1CCC2(C1C3C(=C)CCC2S3)C
InChI
InChI=1S/C15H24S/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3
InChIKey
HVLGGQYBXOJMLO-UHFFFAOYSA-N
Compound name
2-methyl-8-methylidene-5-propan-2-yl-11-thiatricyclo[5.3.1.02,6]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

236.15987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.16715 159.2
[M+Na]+ 259.14909 166.1
[M-H]- 235.15259 162.4
[M+NH4]+ 254.19369 186.2
[M+K]+ 275.12303 162.0
[M+H-H2O]+ 219.15713 156.2
[M+HCOO]- 281.15807 169.5
[M+CH3COO]- 295.17372 170.7
[M+Na-2H]- 257.13454 156.7
[M]+ 236.15932 158.1
[M]- 236.16042 158.1
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.