CID 132327523

2126161-76-8

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₂

SMILES

CC1=NOC(=N1)C2CC(=O)N(C2)C3CNC3

InChI

InChI=1S/C10H14N4O2/c1-6-12-10(16-13-6)7-2-9(15)14(5-7)8-3-11-4-8/h7-8,11H,2-5H2,1H3

InChIKey

OCVMWXHNVJLZMN-UHFFFAOYSA-N

Compound name

1-(azetidin-3-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.11168 Da
Monoisotopic Mass: -0.8
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]+	223.118956	143.3
[M+Na]+	245.100898	149.7
[M-H]-	221.104404	147.2
[M+NH4]+	240.145503	151.3
[M+K]+	261.074838	150.9
[M+H-H2O]+	205.108940	130.1
[M+HCOO]-	267.109881	158.8
[M+CH3COO]-	281.125531	188.0
[M+Na-2H]-	243.086346	143.4
[M]+	222.11113142	149.5
[M]-	222.11222858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.