CID 10889414

211247-62-0

Structural Information

Molecular Formula

C₁₃H₂₁N₃

SMILES

CN(C)C1CCN(CC1)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H21N3/c1-15(2)12-7-9-16(10-8-12)13-5-3-11(14)4-6-13/h3-6,12H,7-10,14H2,1-2H3

InChIKey

PFDUBQQHEHJNQX-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 209
Patents: 219.17355 Da
Monoisotopic Mass: 2.0
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	152.2
[M+Na]+	242.16277	156.5
[M-H]-	218.16627	157.7
[M+NH4]+	237.20737	168.9
[M+K]+	258.13671	154.2
[M+H-H2O]+	202.17081	143.6
[M+HCOO]-	264.17175	173.2
[M+CH3COO]-	278.18740	197.5
[M+Na-2H]-	240.14822	155.4
[M]+	219.17300	146.8
[M]-	219.17410	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe