CID 18002393

2839143-19-8

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1CN(CCN1)C2=NC=CO2

InChI

InChI=1S/C7H11N3O/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2

InChIKey

BKXLCMMXOWRLLA-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 153.09021 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]+	154.09749	131.4
[M+Na]+	176.07943	137.5
[M-H]-	152.08293	132.5
[M+NH4]+	171.12403	147.5
[M+K]+	192.05337	136.4
[M+H-H2O]+	136.08747	122.8
[M+HCOO]-	198.08841	148.3
[M+CH3COO]-	212.10406	143.2
[M+Na-2H]-	174.06488	137.5
[M]+	153.08966	126.2
[M]-	153.09076	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe