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

1
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 147.3
[M+Na]+ 243.171928 155.2
[M-H]- 219.175434 155.5
[M+NH4]+ 238.216533 169.4
[M+K]+ 259.145868 153.4
[M+H-H2O]+ 203.179970 144.0
[M+HCOO]- 265.180911 161.0
[M+CH3COO]- 279.196561 159.3
[M+Na-2H]- 241.157376 151.6
[M]+ 220.18216142 146.5
[M]- 220.18325858 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