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]+ 273.25768 168.0
[M+Na]+ 295.23962 174.0
[M-H]- 271.24312 168.7
[M+NH4]+ 290.28422 186.2
[M+K]+ 311.21356 170.7
[M+H-H2O]+ 255.24766 165.5
[M+HCOO]- 317.24860 182.9
[M+CH3COO]- 331.26425 199.9
[M+Na-2H]- 293.22507 169.1
[M]+ 272.24985 162.9
[M]- 272.25095 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.