CID 21698535

1-(2-aminoethyl)-3-pyrrolidinone

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

C1CN(CC1=O)CCN

InChI

InChI=1S/C6H12N2O/c7-2-4-8-3-1-6(9)5-8/h1-5,7H2

InChIKey

QHPSMQZBMNYBHR-UHFFFAOYSA-N

Compound name

1-(2-aminoethyl)pyrrolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 128.09496 Da
Monoisotopic Mass: -1.1
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]+	129.10224	126.5
[M+Na]+	151.08418	133.3
[M-H]-	127.08768	128.0
[M+NH4]+	146.12878	148.5
[M+K]+	167.05812	132.3
[M+H-H2O]+	111.09222	120.4
[M+HCOO]-	173.09316	149.3
[M+CH3COO]-	187.10881	172.1
[M+Na-2H]-	149.06963	130.5
[M]+	128.09441	122.9
[M]-	128.09551	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe