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

1
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 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

No patent data available for this compound.