CID 6430770

Cembrene

Structural Information

Molecular Formula
C20H32
SMILES
C/C/1=C\CC/C(=C/C/C=C(\C=C\C(CC1)C(C)C)/C)/C
InChI
InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+
InChIKey
DMHADBQKVWXPPM-HPKGDXISSA-N
Compound name
(1E,3Z,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

272.2504 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 166.0
[M+Na]+ 295.23962 170.9
[M-H]- 271.24312 167.9
[M+NH4]+ 290.28422 180.3
[M+K]+ 311.21356 168.2
[M+H-H2O]+ 255.24766 163.1
[M+HCOO]- 317.24860 184.0
[M+CH3COO]- 331.26425 198.3
[M+Na-2H]- 293.22507 164.7
[M]+ 272.24985 161.2
[M]- 272.25095 161.2
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

patents stripe