CID 16790256

934601-25-9

Structural Information

Molecular Formula

C₁₃H₁₉N₃O

SMILES

CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)N

InChI

InChI=1S/C13H19N3O/c1-11(17)16-8-6-15(7-9-16)10-12-2-4-13(14)5-3-12/h2-5H,6-10,14H2,1H3

InChIKey

KSSBFJYMUTXPHA-UHFFFAOYSA-N

Compound name

1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 233.15282 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]+	234.16010	156.0
[M+Na]+	256.14204	161.1
[M-H]-	232.14554	158.8
[M+NH4]+	251.18664	170.4
[M+K]+	272.11598	157.7
[M+H-H2O]+	216.15008	147.1
[M+HCOO]-	278.15102	173.6
[M+CH3COO]-	292.16667	193.3
[M+Na-2H]-	254.12749	158.4
[M]+	233.15227	150.6
[M]-	233.15337	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe