CID 22557721

281234-90-0

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

C1CN(CCC1N)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H15N3/c13-9-10-1-3-12(4-2-10)15-7-5-11(14)6-8-15/h1-4,11H,5-8,14H2

InChIKey

IPHZXPNIIVSIEK-UHFFFAOYSA-N

Compound name

4-(4-aminopiperidin-1-yl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 201.1266 Da
Monoisotopic Mass: 1.4
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]+	202.13388	146.5
[M+Na]+	224.11582	154.4
[M-H]-	200.11932	149.7
[M+NH4]+	219.16042	161.7
[M+K]+	240.08976	149.3
[M+H-H2O]+	184.12386	132.3
[M+HCOO]-	246.12480	162.9
[M+CH3COO]-	260.14045	156.5
[M+Na-2H]-	222.10127	150.2
[M]+	201.12605	135.6
[M]-	201.12715	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe