CID 135504743

33081-07-1

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

C1CCC2=C(C1)C(=O)NC(=N2)N

InChI

InChI=1S/C8H11N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H2,(H3,9,10,11,12)

InChIKey

MUGVXCHGASIZAN-UHFFFAOYSA-N

Compound name

2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 29
Patents: 165.09021 Da
Monoisotopic Mass: -0.1
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]+	166.09749	132.9
[M+Na]+	188.07943	145.0
[M+NH4]+	183.12403	141.0
[M+K]+	204.05337	139.2
[M-H]-	164.08293	134.3
[M+Na-2H]-	186.06488	138.3
[M]+	165.08966	134.8
[M]-	165.09076	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe