CID 25229136

Phomopsene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@H]1CCC2=C(CC[C@@H]3[C@]12C[C@@]4([C@H]3C(CC4)(C)C)C)C
InChI
InChI=1S/C20H32/c1-13-6-8-16-17-18(3,4)10-11-19(17,5)12-20(16)14(2)7-9-15(13)20/h14,16-17H,6-12H2,1-5H3/t14-,16-,17+,19+,20+/m0/s1
InChIKey
WFXPJSKWJXCYJM-TWRRNRRFSA-N
Compound name
(1S,2S,9S,10R,14R)-2,6,11,11,14-pentamethyltetracyclo[7.6.0.01,5.010,14]pentadec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

272.2504 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 171.1
[M+Na]+ 295.23962 179.3
[M-H]- 271.24312 177.8
[M+NH4]+ 290.28422 201.6
[M+K]+ 311.21356 172.9
[M+H-H2O]+ 255.24766 167.1
[M+HCOO]- 317.24860 186.6
[M+CH3COO]- 331.26425 182.9
[M+Na-2H]- 293.22507 169.0
[M]+ 272.24985 168.4
[M]- 272.25095 168.4
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.