CID 6004093

Gamma-pinacene

Structural Information

Molecular Formula
C20H32
SMILES
C/C/1=C/CC/C(=C\C=C(\CC/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/h8,11-12,14,16H,6-7,9-10,13,15H2,1-5H3/b17-8-,18-12-,19-11-,20-14-
InChIKey
UJUWZMUCEGGBOH-CXDHOTJMSA-N
Compound name
(1Z,3Z,7Z,11Z)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

21
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 166.0
[M+Na]+ 295.239618 170.9
[M-H]- 271.243124 167.9
[M+NH4]+ 290.284223 180.3
[M+K]+ 311.213558 168.2
[M+H-H2O]+ 255.247660 163.1
[M+HCOO]- 317.248601 184.0
[M+CH3COO]- 331.264251 198.3
[M+Na-2H]- 293.225066 164.7
[M]+ 272.24985142 161.2
[M]- 272.25094858 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

No patent data available for this compound.