CID 749122

112484-56-7

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CC1(NC2=CC=CC=C2C(=O)N1O)C

InChI

InChI=1S/C10H12N2O2/c1-10(2)11-8-6-4-3-5-7(8)9(13)12(10)14/h3-6,11,14H,1-2H3

InChIKey

BWBLXIQMQNYKRY-UHFFFAOYSA-N

Compound name

3-hydroxy-2,2-dimethyl-1H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.08987 Da
Monoisotopic Mass: 1.4
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]+	193.097146	141.5
[M+Na]+	215.079088	151.1
[M-H]-	191.082594	141.1
[M+NH4]+	210.123693	160.5
[M+K]+	231.053028	147.2
[M+H-H2O]+	175.087130	135.4
[M+HCOO]-	237.088071	157.7
[M+CH3COO]-	251.103721	179.0
[M+Na-2H]-	213.064536	148.4
[M]+	192.08932142	138.7
[M]-	192.09041858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.