CID 135399116

5536-40-3

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C8H10N2O3/c1-4-6(3-7(11)12)8(13)10-5(2)9-4/h3H2,1-2H3,(H,11,12)(H,9,10,13)

InChIKey

VOOQEOLOKRTHEB-UHFFFAOYSA-N

Compound name

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 17
Patents: 182.06914 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]+	183.07642	137.7
[M+Na]+	205.05836	149.7
[M+NH4]+	200.10296	143.3
[M+K]+	221.03230	145.8
[M-H]-	181.06186	136.3
[M+Na-2H]-	203.04381	141.8
[M]+	182.06859	138.7
[M]-	182.06969	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe