CID 61269025

2094145-48-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCC1=NC(=C(C(=N1)C)CC(=O)O)C

InChI

InChI=1S/C10H14N2O2/c1-4-9-11-6(2)8(5-10(13)14)7(3)12-9/h4-5H2,1-3H3,(H,13,14)

InChIKey

SZBKXQTZUBLOHE-UHFFFAOYSA-N

Compound name

2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 1.3
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]+	195.112806	142.3
[M+Na]+	217.094748	151.8
[M-H]-	193.098254	142.6
[M+NH4]+	212.139353	159.2
[M+K]+	233.068688	149.4
[M+H-H2O]+	177.102790	135.6
[M+HCOO]-	239.103731	162.1
[M+CH3COO]-	253.119381	184.6
[M+Na-2H]-	215.080196	146.3
[M]+	194.10498142	144.5
[M]-	194.10607858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.