CID 54930

23434-86-8

Structural Information

Molecular Formula
C15H17NO3
SMILES
C1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H17NO3/c17-15(16-8-2-1-3-9-16)7-5-12-4-6-13-14(10-12)19-11-18-13/h4-7,10H,1-3,8-9,11H2
InChIKey
BLPUOQGPBJPXRL-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

137
Patents

259.12085 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 159.3
[M+Na]+ 282.11007 164.1
[M-H]- 258.11357 165.5
[M+NH4]+ 277.15467 174.2
[M+K]+ 298.08401 162.9
[M+H-H2O]+ 242.11811 151.7
[M+HCOO]- 304.11905 175.0
[M+CH3COO]- 318.13470 170.2
[M+Na-2H]- 280.09552 162.5
[M]+ 259.12030 156.7
[M]- 259.12140 156.7
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