CID 117445

8,15-epoxycedrane

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC[C@]4(CO4)[C@H](C3)C2(C)C
InChI
InChI=1S/C15H24O/c1-10-4-5-11-13(2,3)12-8-14(10,11)6-7-15(12)9-16-15/h10-12H,4-9H2,1-3H3/t10-,11+,12-,14+,15+/m1/s1
InChIKey
BWDPPCMUUFETAC-MIBAYGRRSA-N
Compound name
(1'S,2R,2'R,5'S,7'R)-2',6',6'-trimethylspiro[oxirane-2,8'-tricyclo[5.3.1.01,5]undecane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.3
[M+Na]+ 243.17193 164.7
[M+NH4]+ 238.21653 168.8
[M+K]+ 259.14587 157.4
[M-H]- 219.17543 164.7
[M+Na-2H]- 241.15738 160.9
[M]+ 220.18216 159.9
[M]- 220.18326 159.9
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.