CID 4120141

1179377-17-3

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CC1=CC(=NC(=O)N1CC(=O)O)C

InChI

InChI=1S/C8H10N2O3/c1-5-3-6(2)10(4-7(11)12)8(13)9-5/h3H,4H2,1-2H3,(H,11,12)

InChIKey

RRROEJCGBTXLGK-UHFFFAOYSA-N

Compound name

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 182.06914 Da
Monoisotopic Mass: -0.2
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]+	183.07642	137.1
[M+Na]+	205.05836	149.7
[M+NH4]+	200.10296	143.0
[M+K]+	221.03230	145.4
[M-H]-	181.06186	136.2
[M+Na-2H]-	203.04381	141.8
[M]+	182.06859	138.3
[M]-	182.06969	138.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.