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 147.3
[M+Na]+ 243.17193 155.2
[M-H]- 219.17543 155.5
[M+NH4]+ 238.21653 169.4
[M+K]+ 259.14587 153.4
[M+H-H2O]+ 203.17997 144.0
[M+HCOO]- 265.18091 161.0
[M+CH3COO]- 279.19656 159.3
[M+Na-2H]- 241.15738 151.6
[M]+ 220.18216 146.5
[M]- 220.18326 146.5
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