CID 135487866

Gs 31144

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CC1=CC(=O)NC(=N1)C(C)(C)O

InChI

InChI=1S/C8H12N2O2/c1-5-4-6(11)10-7(9-5)8(2,3)12/h4,12H,1-3H3,(H,9,10,11)

InChIKey

YJVZSRAHZKCRKI-UHFFFAOYSA-N

Compound name

2-(2-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 0
Patents: 168.08987 Da
Monoisotopic Mass: -0.4
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]+	169.09715	135.8
[M+Na]+	191.07909	145.3
[M-H]-	167.08259	134.8
[M+NH4]+	186.12369	152.8
[M+K]+	207.05303	142.4
[M+H-H2O]+	151.08713	130.0
[M+HCOO]-	213.08807	154.0
[M+CH3COO]-	227.10372	174.4
[M+Na-2H]-	189.06454	142.7
[M]+	168.08932	135.0
[M]-	168.09042	135.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.