CID 43521026

4-amino-1-(propan-2-yl)pyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC(C)N1CC(CC1=O)N

InChI

InChI=1S/C7H14N2O/c1-5(2)9-4-6(8)3-7(9)10/h5-6H,3-4,8H2,1-2H3

InChIKey

GJVWZPJQVNYMHB-UHFFFAOYSA-N

Compound name

4-amino-1-propan-2-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 142.11061 Da
Monoisotopic Mass: -0.6
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]+	143.11789	131.4
[M+Na]+	165.09983	138.5
[M-H]-	141.10333	133.2
[M+NH4]+	160.14443	153.1
[M+K]+	181.07377	137.6
[M+H-H2O]+	125.10787	125.5
[M+HCOO]-	187.10881	152.8
[M+CH3COO]-	201.12446	177.1
[M+Na-2H]-	163.08528	132.9
[M]+	142.11006	127.9
[M]-	142.11116	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe