CID 181639

1-(pyridin-2-ylcarbonyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

C1CN(CCN1)C(=O)C2=CC=CC=N2

InChI

InChI=1S/C10H13N3O/c14-10(9-3-1-2-4-12-9)13-7-5-11-6-8-13/h1-4,11H,5-8H2

InChIKey

IULDWWUGMGLWOB-UHFFFAOYSA-N

Compound name

piperazin-1-yl(pyridin-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 189
Patents: 191.10587 Da
Monoisotopic Mass: 0.0
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]+	192.11315	143.7
[M+Na]+	214.09509	155.6
[M+NH4]+	209.13969	150.9
[M+K]+	230.06903	149.7
[M-H]-	190.09859	145.2
[M+Na-2H]-	212.08054	150.7
[M]+	191.10532	145.5
[M]-	191.10642	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe