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

2
Patents

236.15987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.167146 144.4
[M+Na]+ 259.149088 153.3
[M-H]- 235.152594 147.8
[M+NH4]+ 254.193693 159.3
[M+K]+ 275.123028 152.1
[M+H-H2O]+ 219.157130 143.1
[M+HCOO]- 281.158071 158.3
[M+CH3COO]- 295.173721 192.6
[M+Na-2H]- 257.134536 146.3
[M]+ 236.15932142 145.8
[M]- 236.16041858 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