CID 28054514

902837-07-4

Structural Information

Molecular Formula

C₁₃H₂₁N₃O

SMILES

CCCCOC1=CC=CC(=N1)N2CCNCC2

InChI

InChI=1S/C13H21N3O/c1-2-3-11-17-13-6-4-5-12(15-13)16-9-7-14-8-10-16/h4-6,14H,2-3,7-11H2,1H3

InChIKey

PPOHEYKESQFZEC-UHFFFAOYSA-N

Compound name

1-(6-butoxypyridin-2-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 235.16846 Da
Monoisotopic Mass: 2.2
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]+	236.17574	157.5
[M+Na]+	258.15768	161.9
[M-H]-	234.16118	157.3
[M+NH4]+	253.20228	170.0
[M+K]+	274.13162	157.9
[M+H-H2O]+	218.16572	147.6
[M+HCOO]-	280.16666	172.5
[M+CH3COO]-	294.18231	188.8
[M+Na-2H]-	256.14313	161.9
[M]+	235.16791	153.3
[M]-	235.16901	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe