CID 5116563

Refchem:418772

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

CC1=NC(=CC=C1)CN2CCNCC2

InChI

InChI=1S/C11H17N3/c1-10-3-2-4-11(13-10)9-14-7-5-12-6-8-14/h2-4,12H,5-9H2,1H3

InChIKey

QAQSWCKYRYGATB-UHFFFAOYSA-N

Compound name

1-[(6-methyl-2-pyridinyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 191.14224 Da
Monoisotopic Mass: 0.5
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]+	192.149516	145.8
[M+Na]+	214.131458	151.2
[M-H]-	190.134964	145.9
[M+NH4]+	209.176063	160.2
[M+K]+	230.105398	147.1
[M+H-H2O]+	174.139500	136.5
[M+HCOO]-	236.140441	161.3
[M+CH3COO]-	250.156091	156.0
[M+Na-2H]-	212.116906	151.2
[M]+	191.14169142	139.5
[M]-	191.14278858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe