CID 101600317

1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene, 9ci

Structural Information

Molecular Formula
C15H24S
SMILES
C/C/1=C/CC(/C=C\CC2(C(S2)CC1)C)(C)C
InChI
InChI=1S/C15H24S/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-
InChIKey
RNAZTWUZAUOIKC-QZFXXANLSA-N
Compound name
(3Z,7Z)-1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 145.6
[M+Na]+ 259.14909 154.3
[M-H]- 235.15259 148.9
[M+NH4]+ 254.19369 162.1
[M+K]+ 275.12303 154.2
[M+H-H2O]+ 219.15713 144.9
[M+HCOO]- 281.15807 159.2
[M+CH3COO]- 295.17372 191.3
[M+Na-2H]- 257.13454 149.2
[M]+ 236.15932 147.1
[M]- 236.16042 147.1
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

patents stripe