CID 5280437

Casbene

Structural Information

Molecular Formula
C20H32
SMILES
C/C/1=C\CC/C(=C/C2C(C2(C)C)CC/C(=C/CC1)/C)/C
InChI
InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+
InChIKey
ZJMVJDFTNPZVMB-QOCMWZQCSA-N
Compound name
(2E,6E,10E)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 160.6
[M+Na]+ 295.23962 168.9
[M-H]- 271.24312 164.7
[M+NH4]+ 290.28422 173.6
[M+K]+ 311.21356 167.0
[M+H-H2O]+ 255.24766 159.1
[M+HCOO]- 317.24860 178.0
[M+CH3COO]- 331.26425 201.0
[M+Na-2H]- 293.22507 162.2
[M]+ 272.24985 159.5
[M]- 272.25095 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