CID 101600316

3,7,7,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene

Structural Information

Molecular Formula
C15H24S
SMILES
C/C/1=C/CC(C2C(S2)C/C(=C\CC1)/C)(C)C
InChI
InChI=1S/C15H24S/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8-,12-7-
InChIKey
SVXFQANDXQPHJI-HONFXZPPSA-N
Compound name
(3Z,7Z)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.15987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.16715 144.4
[M+Na]+ 259.14909 153.3
[M-H]- 235.15259 147.8
[M+NH4]+ 254.19369 159.3
[M+K]+ 275.12303 152.1
[M+H-H2O]+ 219.15713 143.1
[M+HCOO]- 281.15807 158.3
[M+CH3COO]- 295.17372 192.6
[M+Na-2H]- 257.13454 146.3
[M]+ 236.15932 145.8
[M]- 236.16042 145.8
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