CID 42608185

(+)-6(13)-zizene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CC[C@H]2[C@]13CCC(C3)C(C2=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/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12?,13+,15-/m0/s1
InChIKey
VBZRHXLPRWBPEH-RZLPUIOOSA-N
Compound name
(1S,2S,5S)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.1
[M+Na]+ 227.17702 158.7
[M-H]- 203.18052 155.3
[M+NH4]+ 222.22162 180.4
[M+K]+ 243.15096 154.0
[M+H-H2O]+ 187.18506 147.3
[M+HCOO]- 249.18600 167.7
[M+CH3COO]- 263.20165 163.7
[M+Na-2H]- 225.16247 152.4
[M]+ 204.18725 147.6
[M]- 204.18835 147.6
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.