CID 5315649

M-camphorene

Structural Information

Molecular Formula
C20H32
SMILES
CC(=CCCC1=CCCC(C1)C(=C)CCC=C(C)C)C
InChI
InChI=1S/C20H32/c1-16(2)9-6-11-18(5)20-14-8-13-19(15-20)12-7-10-17(3)4/h9-10,13,20H,5-8,11-12,14-15H2,1-4H3
InChIKey
OIRFZVJHADZVMD-UHFFFAOYSA-N
Compound name
5-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpent-3-enyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

272.2504 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 173.1
[M+Na]+ 295.23962 175.1
[M-H]- 271.24312 174.7
[M+NH4]+ 290.28422 189.4
[M+K]+ 311.21356 170.5
[M+H-H2O]+ 255.24766 166.6
[M+HCOO]- 317.24860 188.7
[M+CH3COO]- 331.26425 205.1
[M+Na-2H]- 293.22507 169.2
[M]+ 272.24985 170.4
[M]- 272.25095 170.4
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