CID 97620316

1598036-14-6

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

CCC1=NC=C2CNCCC2=N1

InChI

InChI=1S/C9H13N3/c1-2-9-11-6-7-5-10-4-3-8(7)12-9/h6,10H,2-5H2,1H3

InChIKey

WDJNDQGEKXHNNJ-UHFFFAOYSA-N

Compound name

2-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.11095 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]+	164.118226	136.5
[M+Na]+	186.100168	143.9
[M-H]-	162.103674	134.9
[M+NH4]+	181.144773	153.5
[M+K]+	202.074108	140.2
[M+H-H2O]+	146.108210	128.4
[M+HCOO]-	208.109151	152.5
[M+CH3COO]-	222.124801	147.8
[M+Na-2H]-	184.085616	144.7
[M]+	163.11040142	132.3
[M]-	163.11149858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe