CID 73950880

-duprezizaenene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CC[C@H]2[C@]13CC[C@H](C3)C(=C)C2(C)C
InChI
InChI=1S/C15H24/c1-10-5-6-13-14(3,4)11(2)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13+,15-/m0/s1
InChIKey
RFSYBMDOYOBTCL-ZGFBFQLVSA-N
Compound name
(1S,2S,5S,8R)-2,6,6-trimethyl-7-methylidenetricyclo[6.2.1.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

72
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

literature stripe

Patent stripe

patents stripe