CID 4712455

1-[(piperidin-4-yl)methyl]pyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₈N₂O

SMILES

C1CC(=O)N(C1)CC2CCNCC2

InChI

InChI=1S/C10H18N2O/c13-10-2-1-7-12(10)8-9-3-5-11-6-4-9/h9,11H,1-8H2

InChIKey

NDYUYNKSORUJAS-UHFFFAOYSA-N

Compound name

1-(piperidin-4-ylmethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 182.1419 Da
Monoisotopic Mass: 0.1
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]+	183.14918	144.1
[M+Na]+	205.13112	147.8
[M-H]-	181.13462	145.2
[M+NH4]+	200.17572	161.7
[M+K]+	221.10506	145.1
[M+H-H2O]+	165.13916	136.0
[M+HCOO]-	227.14010	159.5
[M+CH3COO]-	241.15575	176.8
[M+Na-2H]-	203.11657	145.1
[M]+	182.14135	135.5
[M]-	182.14245	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe