CID 62329303

3-(pyrrolidin-3-yl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

C1CNCC1N2CCOC2=O

InChI

InChI=1S/C7H12N2O2/c10-7-9(3-4-11-7)6-1-2-8-5-6/h6,8H,1-5H2

InChIKey

PWHBNQLTXRSWIK-UHFFFAOYSA-N

Compound name

3-pyrrolidin-3-yl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 156.08987 Da
Monoisotopic Mass: -0.3
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]+	157.097146	133.1
[M+Na]+	179.079088	139.0
[M-H]-	155.082594	135.8
[M+NH4]+	174.123693	152.3
[M+K]+	195.053028	138.7
[M+H-H2O]+	139.087130	126.3
[M+HCOO]-	201.088071	151.0
[M+CH3COO]-	215.103721	169.9
[M+Na-2H]-	177.064536	135.1
[M]+	156.08932142	127.8
[M]-	156.09041858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe