CID 171037428

Sobralene

Structural Information

Molecular Formula
C20H32
SMILES
C/C/1=C/CC2CCC(=C(C2(C)C)C/C=C(\CCC1)/C)C
InChI
InChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h9-10,18H,6-8,11-14H2,1-5H3/b15-9-,16-10-
InChIKey
PCIXTRZRJQICOW-VULZFCBJSA-N
Compound name
(3Z,8Z)-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 168.0
[M+Na]+ 295.239618 174.0
[M-H]- 271.243124 168.7
[M+NH4]+ 290.284223 186.2
[M+K]+ 311.213558 170.7
[M+H-H2O]+ 255.247660 165.5
[M+HCOO]- 317.248601 182.9
[M+CH3COO]- 331.264251 199.9
[M+Na-2H]- 293.225066 169.1
[M]+ 272.24985142 162.9
[M]- 272.25094858 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.