CID 29073

.beta.-chamigrene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CCC2(CC1)C(=C)CCCC2(C)C
InChI
InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3
InChIKey
WLNGPDPILFYWKF-UHFFFAOYSA-N
Compound name
5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

10
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.2
[M+Na]+ 227.17702 163.4
[M+NH4]+ 222.22162 164.2
[M+K]+ 243.15096 151.4
[M-H]- 203.18052 155.8
[M+Na-2H]- 225.16247 159.9
[M]+ 204.18725 154.6
[M]- 204.18835 154.6
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