CID 520687

16-kaurene

Structural Information

Molecular Formula
C20H32
SMILES
CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C
InChI
InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3
InChIKey
ONVABDHFQKWOSV-UHFFFAOYSA-N
Compound name
5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2084
References

2280
Patents

272.2504 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 170.9
[M+Na]+ 295.239618 175.7
[M-H]- 271.243124 174.2
[M+NH4]+ 290.284223 197.8
[M+K]+ 311.213558 169.3
[M+H-H2O]+ 255.247660 163.8
[M+HCOO]- 317.248601 180.0
[M+CH3COO]- 331.264251 180.2
[M+Na-2H]- 293.225066 171.8
[M]+ 272.24985142 162.7
[M]- 272.25094858 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.