CID 3084832

Longifolene epoxide

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@]12CCCC([C@@H]3[C@H]1CC[C@@H]3[C@]24CO4)(C)C
InChI
InChI=1S/C15H24O/c1-13(2)7-4-8-14(3)10-5-6-11(12(10)13)15(14)9-16-15/h10-12H,4-9H2,1-3H3/t10-,11+,12-,14-,15-/m1/s1
InChIKey
JGOMSUGOZLJMRV-BUONHZGMSA-N
Compound name
(1'R,2R,2'R,7'R,9'S)-3',3',7'-trimethylspiro[oxirane-2,8'-tricyclo[5.4.0.02,9]undecane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 146.7
[M+Na]+ 243.17193 156.0
[M+NH4]+ 238.21653 160.5
[M+K]+ 259.14587 151.0
[M-H]- 219.17543 156.6
[M+Na-2H]- 241.15738 154.1
[M]+ 220.18216 152.4
[M]- 220.18326 152.4
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

patents stripe