CID 12073743

(2e)-piperamide-c5:1

Structural Information

Molecular Formula
C16H19NO3
SMILES
C1CCN(C1)C(=O)/C=C/CCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H19NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h2,6-8,11H,1,3-5,9-10,12H2/b6-2+
InChIKey
XZTCTKKANUDQCW-QHHAFSJGSA-N
Compound name
(E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

273.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 164.9
[M+Na]+ 296.12572 170.1
[M-H]- 272.12922 171.4
[M+NH4]+ 291.17032 181.1
[M+K]+ 312.09966 168.8
[M+H-H2O]+ 256.13376 158.3
[M+HCOO]- 318.13470 182.4
[M+CH3COO]- 332.15035 194.8
[M+Na-2H]- 294.11117 165.8
[M]+ 273.13595 164.9
[M]- 273.13705 164.9
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