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
3
Annotation Hits

2
References

215
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 148.2
[M+Na]+ 227.177018 154.1
[M-H]- 203.180524 153.4
[M+NH4]+ 222.221623 171.8
[M+K]+ 243.150958 150.8
[M+H-H2O]+ 187.185060 142.9
[M+HCOO]- 249.186001 165.3
[M+CH3COO]- 263.201651 187.9
[M+Na-2H]- 225.162466 152.1
[M]+ 204.18725142 141.9
[M]- 204.18834858 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

literature stripe

Patent stripe

patents stripe