CID 101600317

Schembl30752496

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

6
Patents

236.15987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.167146 145.6
[M+Na]+ 259.149088 154.3
[M-H]- 235.152594 148.9
[M+NH4]+ 254.193693 162.1
[M+K]+ 275.123028 154.2
[M+H-H2O]+ 219.157130 144.9
[M+HCOO]- 281.158071 159.2
[M+CH3COO]- 295.173721 191.3
[M+Na-2H]- 257.134536 149.2
[M]+ 236.15932142 147.1
[M]- 236.16041858 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