CID 55263782

2287335-33-3

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

CC1=C2CNCCC2=NC=N1

InChI

InChI=1S/C8H11N3/c1-6-7-4-9-3-2-8(7)11-5-10-6/h5,9H,2-4H2,1H3

InChIKey

YYZDYNSUOPWBRV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 149.09529 Da
Monoisotopic Mass: 0.0
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]+	150.102566	132.0
[M+Na]+	172.084508	139.9
[M-H]-	148.088014	130.6
[M+NH4]+	167.129113	149.5
[M+K]+	188.058448	136.4
[M+H-H2O]+	132.092550	124.1
[M+HCOO]-	194.093491	148.4
[M+CH3COO]-	208.109141	143.8
[M+Na-2H]-	170.069956	140.7
[M]+	149.09474142	127.5
[M]-	149.09583858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe