CID 23724686

(+)-epi-isozizaene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C
InChI
InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1
InChIKey
CYLSPJUZBPWJGC-ITDIGPHOSA-N
Compound name
(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

11
Patents

204.1878 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.4
[M+Na]+ 227.17702 158.7
[M-H]- 203.18052 155.1
[M+NH4]+ 222.22162 179.9
[M+K]+ 243.15096 154.5
[M+H-H2O]+ 187.18506 146.5
[M+HCOO]- 249.18600 168.3
[M+CH3COO]- 263.20165 163.6
[M+Na-2H]- 225.16247 152.7
[M]+ 204.18725 149.1
[M]- 204.18835 149.1
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