CID 14589073

3,15-epoxy-6-caryophyllene

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C/CCC2(CO2)C3CC(C3CC1)(C)C
InChI
InChI=1S/C15H24O/c1-11-5-4-8-15(10-16-15)13-9-14(2,3)12(13)7-6-11/h5,12-13H,4,6-10H2,1-3H3/b11-5-
InChIKey
AURKDPLYMRHYAY-WZUFQYTHSA-N
Compound name
(4Z)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 146.4
[M+Na]+ 243.171928 157.7
[M-H]- 219.175434 150.8
[M+NH4]+ 238.216533 151.2
[M+K]+ 259.145868 154.9
[M+H-H2O]+ 203.179970 144.4
[M+HCOO]- 265.180911 152.8
[M+CH3COO]- 279.196561 154.5
[M+Na-2H]- 241.157376 157.5
[M]+ 220.18216142 152.0
[M]- 220.18325858 152.0
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.