CID 5463724

Zerumbone epoxide

Structural Information

Molecular Formula
C15H22O2
SMILES
C/C/1=C/CCC2(C(O2)CC(/C=C/C1=O)(C)C)C
InChI
InChI=1S/C15H22O2/c1-11-6-5-8-15(4)13(17-15)10-14(2,3)9-7-12(11)16/h6-7,9,13H,5,8,10H2,1-4H3/b9-7+,11-6-
InChIKey
UXYYOHOTPOQJPD-MHLOZHTBSA-N
Compound name
(4Z,7E)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-dien-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 149.1
[M+Na]+ 257.15121 159.4
[M-H]- 233.15471 153.7
[M+NH4]+ 252.19581 164.1
[M+K]+ 273.12515 160.7
[M+H-H2O]+ 217.15925 148.6
[M+HCOO]- 279.16019 167.0
[M+CH3COO]- 293.17584 191.8
[M+Na-2H]- 255.13666 155.3
[M]+ 234.16144 151.6
[M]- 234.16254 151.6
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.