CID 199639

Brn 0117229

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

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

InChI

InChI=1S/C7H12N2O/c1-5-4-7(2,3)9-6(10)8-5/h4H,1-3H3,(H2,8,9,10)

InChIKey

XDSIEWLESJGJAI-UHFFFAOYSA-N

Compound name

4,4,6-trimethyl-1,3-dihydropyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 140.09496 Da
Monoisotopic Mass: 0.3
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]+	141.10224	129.9
[M+Na]+	163.08418	138.4
[M-H]-	139.08768	128.4
[M+NH4]+	158.12878	149.9
[M+K]+	179.05812	135.7
[M+H-H2O]+	123.09222	124.7
[M+HCOO]-	185.09316	147.0
[M+CH3COO]-	199.10881	169.1
[M+Na-2H]-	161.06963	135.9
[M]+	140.09441	125.3
[M]-	140.09551	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe