CID 4164358

65739-64-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1CNC(=NC1)C2=CC=CC=C2O

InChI

InChI=1S/C10H12N2O/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)

InChIKey

ASEAXFLYJBVEGB-UHFFFAOYSA-N

Compound name

2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 176.09496 Da
Monoisotopic Mass: 0.9
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]+	177.10224	138.2
[M+Na]+	199.08418	144.6
[M-H]-	175.08768	139.0
[M+NH4]+	194.12878	153.9
[M+K]+	215.05812	140.3
[M+H-H2O]+	159.09222	130.3
[M+HCOO]-	221.09316	155.6
[M+CH3COO]-	235.10881	149.4
[M+Na-2H]-	197.06963	144.8
[M]+	176.09441	132.1
[M]-	176.09551	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe