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]+ 273.25768 166.9
[M+Na]+ 295.23962 173.0
[M-H]- 271.24312 168.7
[M+NH4]+ 290.28422 186.2
[M+K]+ 311.21356 169.9
[M+H-H2O]+ 255.24766 164.2
[M+HCOO]- 317.24860 182.6
[M+CH3COO]- 331.26425 198.4
[M+Na-2H]- 293.22507 168.9
[M]+ 272.24985 161.1
[M]- 272.25095 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.