CID 13922652

Germacrone 4,5-epoxide

Structural Information

Molecular Formula
C15H22O2
SMILES
C/C/1=C/CCC2(C(O2)CC(=C(C)C)C(=O)C1)C
InChI
InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6-
InChIKey
DWGVRYKQVZGSIB-WDZFZDKYSA-N
Compound name
(6Z)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 150.2
[M+Na]+ 257.15121 162.9
[M+NH4]+ 252.19581 159.6
[M+K]+ 273.12515 156.8
[M-H]- 233.15471 160.2
[M+Na-2H]- 255.13666 157.5
[M]+ 234.16144 155.9
[M]- 234.16254 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.