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 149.5
[M+Na]+ 257.15121 158.4
[M-H]- 233.15471 153.3
[M+NH4]+ 252.19581 162.6
[M+K]+ 273.12515 158.5
[M+H-H2O]+ 217.15925 148.3
[M+HCOO]- 279.16019 166.0
[M+CH3COO]- 293.17584 192.8
[M+Na-2H]- 255.13666 152.8
[M]+ 234.16144 149.9
[M]- 234.16254 149.9
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.