CID 22052431

2742652-36-2

Structural Information

Molecular Formula

C₁₀H₁₆N₄

SMILES

C1CN(CCC1CN)C2=NC=NC=C2

InChI

InChI=1S/C10H16N4/c11-7-9-2-5-14(6-3-9)10-1-4-12-8-13-10/h1,4,8-9H,2-3,5-7,11H2

InChIKey

SOQIYEUEAKMJCJ-UHFFFAOYSA-N

Compound name

(1-pyrimidin-4-ylpiperidin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 192.1375 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]+	193.144776	144.6
[M+Na]+	215.126718	150.1
[M-H]-	191.130224	145.8
[M+NH4]+	210.171323	159.0
[M+K]+	231.100658	146.6
[M+H-H2O]+	175.134760	134.9
[M+HCOO]-	237.135701	162.4
[M+CH3COO]-	251.151351	155.1
[M+Na-2H]-	213.112166	150.6
[M]+	192.13695142	138.2
[M]-	192.13804858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe