CID 11816089

Epoxyartemisia ketone

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(C(O1)C(=O)C(C)(C)C=C)C
InChI
InChI=1S/C10H16O2/c1-6-9(2,3)7(11)8-10(4,5)12-8/h6,8H,1H2,2-5H3
InChIKey
VDWHYKNCKVKWIG-UHFFFAOYSA-N
Compound name
1-(3,3-dimethyloxiran-2-yl)-2,2-dimethylbut-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

168.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.9
[M+Na]+ 191.10426 145.8
[M-H]- 167.10776 141.8
[M+NH4]+ 186.14886 152.8
[M+K]+ 207.07820 145.8
[M+H-H2O]+ 151.11230 132.0
[M+HCOO]- 213.11324 155.7
[M+CH3COO]- 227.12889 184.9
[M+Na-2H]- 189.08971 142.8
[M]+ 168.11449 141.7
[M]- 168.11559 141.7
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.