CID 442353

Beta-chamigrene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC[C@@]2(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/t15-/m1/s1
InChIKey
WLNGPDPILFYWKF-OAHLLOKOSA-N
Compound name
(6R)-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

209
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 148.2
[M+Na]+ 227.17702 154.1
[M-H]- 203.18052 153.4
[M+NH4]+ 222.22162 171.8
[M+K]+ 243.15096 150.8
[M+H-H2O]+ 187.18506 142.9
[M+HCOO]- 249.18600 165.3
[M+CH3COO]- 263.20165 187.9
[M+Na-2H]- 225.16247 152.1
[M]+ 204.18725 141.9
[M]- 204.18835 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.