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

literature stripe

Patent stripe

patents stripe