CID 61791959

1432680-58-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1CNCCC1CN2C(=O)C=CC2=O

InChI

InChI=1S/C10H14N2O2/c13-9-1-2-10(14)12(9)7-8-3-5-11-6-4-8/h1-2,8,11H,3-7H2

InChIKey

YGBYDLPDBMHIAJ-UHFFFAOYSA-N

Compound name

1-(piperidin-4-ylmethyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 194.10553 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.11281	143.7
[M+Na]+	217.09475	149.7
[M-H]-	193.09825	145.6
[M+NH4]+	212.13935	161.1
[M+K]+	233.06869	146.5
[M+H-H2O]+	177.10279	136.0
[M+HCOO]-	239.10373	161.0
[M+CH3COO]-	253.11938	178.8
[M+Na-2H]-	215.08020	145.2
[M]+	194.10498	137.7
[M]-	194.10608	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe