CID 3159616

1185304-06-6

Structural Information

Molecular Formula

C₁₃H₂₁N₃

SMILES

CN1CCN(CC1)C(CN)C2=CC=CC=C2

InChI

InChI=1S/C13H21N3/c1-15-7-9-16(10-8-15)13(11-14)12-5-3-2-4-6-12/h2-6,13H,7-11,14H2,1H3

InChIKey

VHZHFHXITHQLFZ-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 219.17355 Da
Monoisotopic Mass: 0.7
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]+	220.18083	153.4
[M+Na]+	242.16277	157.2
[M-H]-	218.16627	155.7
[M+NH4]+	237.20737	168.1
[M+K]+	258.13671	153.9
[M+H-H2O]+	202.17081	144.3
[M+HCOO]-	264.17175	170.6
[M+CH3COO]-	278.18740	191.5
[M+Na-2H]-	240.14822	156.6
[M]+	219.17300	146.9
[M]-	219.17410	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe