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]+ 221.18999 146.4
[M+Na]+ 243.17193 157.7
[M-H]- 219.17543 150.8
[M+NH4]+ 238.21653 151.2
[M+K]+ 259.14587 154.9
[M+H-H2O]+ 203.17997 144.4
[M+HCOO]- 265.18091 152.8
[M+CH3COO]- 279.19656 154.5
[M+Na-2H]- 241.15738 157.5
[M]+ 220.18216 152.0
[M]- 220.18326 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.