CID 84021127

2460757-10-0

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

C1CC(=O)N(C1)CC(CO)N

InChI

InChI=1S/C7H14N2O2/c8-6(5-10)4-9-3-1-2-7(9)11/h6,10H,1-5,8H2

InChIKey

XQZCEVSKKMMWKG-UHFFFAOYSA-N

Compound name

1-(2-amino-3-hydroxypropyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.10553 Da
Monoisotopic Mass: -1.8
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]+	159.11281	135.0
[M+Na]+	181.09475	142.2
[M+NH4]+	176.13935	141.6
[M+K]+	197.06869	140.4
[M-H]-	157.09825	134.3
[M+Na-2H]-	179.08020	137.0
[M]+	158.10498	135.2
[M]-	158.10608	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.