CID 14336535

Cembrene c

Structural Information

Molecular Formula
C20H32
SMILES
C/C/1=C\CC/C(=C/CC(=C(C)C)CC/C(=C/CC1)/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/h8,11-12H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+
InChIKey
SHVZFTWRFOQOFU-GDVLXBNMSA-N
Compound name
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

272.2504 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 166.6
[M+Na]+ 295.239618 170.9
[M-H]- 271.243124 168.1
[M+NH4]+ 290.284223 180.7
[M+K]+ 311.213558 167.7
[M+H-H2O]+ 255.247660 163.8
[M+HCOO]- 317.248601 183.3
[M+CH3COO]- 331.264251 197.1
[M+Na-2H]- 293.225066 164.2
[M]+ 272.24985142 159.5
[M]- 272.25094858 159.5
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