CID 10902686

Ncgc00381368-01

Structural Information

Molecular Formula
C17H19NO4
SMILES
C1CCN(CC1)C(=O)C2C(O2)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C17H19NO4/c19-17(18-8-2-1-3-9-18)16-14(22-16)7-5-12-4-6-13-15(10-12)21-11-20-13/h4-7,10,14,16H,1-3,8-9,11H2/b7-5+
InChIKey
VOXQNTWMJFAWIA-FNORWQNLSA-N
Compound name
[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]oxiran-2-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

301.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.138676 169.8
[M+Na]+ 324.120618 176.9
[M-H]- 300.124124 180.4
[M+NH4]+ 319.165223 177.2
[M+K]+ 340.094558 176.2
[M+H-H2O]+ 284.128660 162.0
[M+HCOO]- 346.129601 183.9
[M+CH3COO]- 360.145251 180.2
[M+Na-2H]- 322.106066 172.2
[M]+ 301.13085142 171.6
[M]- 301.13194858 171.6
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.