CID 155724

4,8-epithioazulene, decahydro-3a-methyl-7-methylene-1-(1-methylethyl)-, (1s-(1alpha,3aalpha,4alpha,8alpha,8aalpha))-

Structural Information

Molecular Formula
C15H24S
SMILES
CC(C)[C@@H]1CC[C@@]2([C@H]1[C@@H]3C(=C)CC[C@@H]2S3)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/t11-,12-,13+,14-,15-/m0/s1
InChIKey
HVLGGQYBXOJMLO-RMEBNNNOSA-N
Compound name
(1S,2R,5S,6S,7R)-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 157.8
[M+Na]+ 259.14909 165.9
[M+NH4]+ 254.19369 170.1
[M+K]+ 275.12303 158.5
[M-H]- 235.15259 159.4
[M+Na-2H]- 257.13454 158.4
[M]+ 236.15932 159.9
[M]- 236.16042 159.9
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.