CID 33551

26586-55-0

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C

InChI

InChI=1S/C13H18N2O/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3

InChIKey

IRIZGAMYKHTLKS-UHFFFAOYSA-N

Compound name

1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 214
Patents: 218.1419 Da
Monoisotopic Mass: 1.5
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]+	219.14918	151.5
[M+Na]+	241.13112	164.5
[M+NH4]+	236.17572	159.6
[M+K]+	257.10506	157.7
[M-H]-	217.13462	154.6
[M+Na-2H]-	239.11657	158.6
[M]+	218.14135	154.2
[M]-	218.14245	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe