CID 52200776

2825012-96-0

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

C1CN(CCN1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C11H17N3/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14/h1-4,13H,5-9,12H2

InChIKey

AMMWIBNKEHSGDR-UHFFFAOYSA-N

Compound name

(4-piperazin-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 191.14224 Da
Monoisotopic Mass: 0.0
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]+	192.149516	144.5
[M+Na]+	214.131458	149.1
[M-H]-	190.134964	145.6
[M+NH4]+	209.176063	159.7
[M+K]+	230.105398	144.7
[M+H-H2O]+	174.139500	135.9
[M+HCOO]-	236.140441	161.8
[M+CH3COO]-	250.156091	154.7
[M+Na-2H]-	212.116906	149.5
[M]+	191.14169142	136.1
[M]-	191.14278858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe