CID 62664150

1249923-55-4

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

C1CN(CCC1C=O)C2=NC=CC=N2

InChI

InChI=1S/C10H13N3O/c14-8-9-2-6-13(7-3-9)10-11-4-1-5-12-10/h1,4-5,8-9H,2-3,6-7H2

InChIKey

BYMANHAUJCMODT-UHFFFAOYSA-N

Compound name

1-pyrimidin-2-ylpiperidine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 191.10587 Da
Monoisotopic Mass: 0.6
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]+	192.11315	142.8
[M+Na]+	214.09509	149.2
[M-H]-	190.09859	144.5
[M+NH4]+	209.13969	157.6
[M+K]+	230.06903	146.2
[M+H-H2O]+	174.10313	133.2
[M+HCOO]-	236.10407	160.4
[M+CH3COO]-	250.11972	181.6
[M+Na-2H]-	212.08054	149.2
[M]+	191.10532	138.7
[M]-	191.10642	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe