CID 57911769

1062369-35-0

Structural Information

Molecular Formula

C₁₁H₁₄N₄

SMILES

C1CC(CNC1)NC2=NC=C(C=C2)C#N

InChI

InChI=1S/C11H14N4/c12-6-9-3-4-11(14-7-9)15-10-2-1-5-13-8-10/h3-4,7,10,13H,1-2,5,8H2,(H,14,15)

InChIKey

JMCSKUHNTGBAES-UHFFFAOYSA-N

Compound name

6-(piperidin-3-ylamino)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 202.12184 Da
Monoisotopic Mass: 1.0
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]+	203.12912	144.7
[M+Na]+	225.11106	151.3
[M-H]-	201.11456	145.1
[M+NH4]+	220.15566	157.7
[M+K]+	241.08500	146.1
[M+H-H2O]+	185.11910	129.5
[M+HCOO]-	247.12004	159.2
[M+CH3COO]-	261.13569	153.6
[M+Na-2H]-	223.09651	150.2
[M]+	202.12129	132.7
[M]-	202.12239	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe