CID 565764

Ethanone, 1-(1a,2,3,5,6a,6b-hexahydro-3,3,6a-trimethyloxireno[g]benzofuran-5-yl)-

Structural Information

Molecular Formula
C13H18O3
SMILES
CC(=O)C1C=C2C(CC3C(C2(O1)C)O3)(C)C
InChI
InChI=1S/C13H18O3/c1-7(14)8-5-10-12(2,3)6-9-11(15-9)13(10,4)16-8/h5,8-9,11H,6H2,1-4H3
InChIKey
JEGPYDCSZAKUGS-UHFFFAOYSA-N
Compound name
1-(3,3,6a-trimethyl-1a,2,5,6b-tetrahydrooxireno[2,3-g][1]benzofuran-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1256 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 148.7
[M+Na]+ 245.114818 160.1
[M-H]- 221.118324 156.6
[M+NH4]+ 240.159423 167.8
[M+K]+ 261.088758 160.3
[M+H-H2O]+ 205.122860 145.5
[M+HCOO]- 267.123801 164.4
[M+CH3COO]- 281.139451 193.9
[M+Na-2H]- 243.100266 155.3
[M]+ 222.12505142 155.4
[M]- 222.12614858 155.4
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.