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

1
References

36
Patents

234.16199 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 149.5
[M+Na]+ 257.151208 158.4
[M-H]- 233.154714 153.3
[M+NH4]+ 252.195813 162.6
[M+K]+ 273.125148 158.5
[M+H-H2O]+ 217.159250 148.3
[M+HCOO]- 279.160191 166.0
[M+CH3COO]- 293.175841 192.8
[M+Na-2H]- 255.136656 152.8
[M]+ 234.16144142 149.9
[M]- 234.16253858 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

patents stripe