CID 3052544

1-methyl-2-phenylethylamine n-ethylpiperazine

Structural Information

Molecular Formula

C₁₅H₂₅N₃

SMILES

CC(CC1=CC=CC=C1)N2CCN(CC2)CCN

InChI

InChI=1S/C15H25N3/c1-14(13-15-5-3-2-4-6-15)18-11-9-17(8-7-16)10-12-18/h2-6,14H,7-13,16H2,1H3

InChIKey

OVTCPWDTNYWUDG-UHFFFAOYSA-N

Compound name

2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.20485 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]+	248.212126	162.3
[M+Na]+	270.194068	165.2
[M-H]-	246.197574	164.1
[M+NH4]+	265.238673	175.8
[M+K]+	286.168008	161.3
[M+H-H2O]+	230.202110	152.7
[M+HCOO]-	292.203051	178.7
[M+CH3COO]-	306.218701	197.6
[M+Na-2H]-	268.179516	164.3
[M]+	247.20430142	156.5
[M]-	247.20539858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe