CID 17750884

901586-58-1

Structural Information

Molecular Formula

C₁₁H₁₆ClN₃

SMILES

CCC1=CC(=NC(=N1)N2CCCCC2)Cl

InChI

InChI=1S/C11H16ClN3/c1-2-9-8-10(12)14-11(13-9)15-6-4-3-5-7-15/h8H,2-7H2,1H3

InChIKey

DEFHAJMRIODKPC-UHFFFAOYSA-N

Compound name

4-chloro-6-ethyl-2-piperidin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.10327 Da
Monoisotopic Mass: 3.3
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]+	226.11055	151.0
[M+Na]+	248.09249	158.3
[M-H]-	224.09599	152.5
[M+NH4]+	243.13709	165.7
[M+K]+	264.06643	153.5
[M+H-H2O]+	208.10053	141.7
[M+HCOO]-	270.10147	163.1
[M+CH3COO]-	284.11712	161.7
[M+Na-2H]-	246.07794	155.5
[M]+	225.10272	148.7
[M]-	225.10382	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe