CID 155858435

3-amino-3-propylpyrrolidin-2-one

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CCCC1(CCNC1=O)N

InChI

InChI=1S/C7H14N2O/c1-2-3-7(8)4-5-9-6(7)10/h2-5,8H2,1H3,(H,9,10)

InChIKey

OBRKGUGZVABIJI-UHFFFAOYSA-N

Compound name

3-amino-3-propylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.11061 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]+	143.11789	130.6
[M+Na]+	165.09983	137.5
[M-H]-	141.10333	130.8
[M+NH4]+	160.14443	153.3
[M+K]+	181.07377	135.4
[M+H-H2O]+	125.10787	125.5
[M+HCOO]-	187.10881	151.6
[M+CH3COO]-	201.12446	172.1
[M+Na-2H]-	163.08528	134.8
[M]+	142.11006	125.8
[M]-	142.11116	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.