CID 55254411

933726-35-3

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

C1CC2=NC=NC=C2CC1N

InChI

InChI=1S/C8H11N3/c9-7-1-2-8-6(3-7)4-10-5-11-8/h4-5,7H,1-3,9H2

InChIKey

VZSRJNKREOFLHV-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydroquinazolin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	129.9
[M+Na]+	172.084508	137.3
[M-H]-	148.088014	130.9
[M+NH4]+	167.129113	149.0
[M+K]+	188.058448	134.5
[M+H-H2O]+	132.092550	122.4
[M+HCOO]-	194.093491	149.6
[M+CH3COO]-	208.109141	142.4
[M+Na-2H]-	170.069956	138.7
[M]+	149.09474142	125.1
[M]-	149.09583858	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe