CID 129320436

(3e,7e)-dolathalia-3,7,11-triene

Structural Information

Molecular Formula
C20H32
SMILES
C/C/1=C\CC/C(=C/CC2(CCC(C=C2CC1)(C)C)C)/C
InChI
InChI=1S/C20H32/c1-16-7-6-8-17(2)11-12-20(5)14-13-19(3,4)15-18(20)10-9-16/h7,11,15H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+
InChIKey
KDEVGDLVYKBTQM-WPNGSOMFSA-N
Compound name
(4E,8E)-4,8,11,14,14-pentamethylbicyclo[9.4.0]pentadeca-1(15),4,8-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.2504 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 166.9
[M+Na]+ 295.239618 173.0
[M-H]- 271.243124 168.7
[M+NH4]+ 290.284223 186.2
[M+K]+ 311.213558 169.9
[M+H-H2O]+ 255.247660 164.2
[M+HCOO]- 317.248601 182.6
[M+CH3COO]- 331.264251 198.4
[M+Na-2H]- 293.225066 168.9
[M]+ 272.24985142 161.1
[M]- 272.25094858 161.1
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.