CID 114514104

2377032-44-3

Structural Information

Molecular Formula

C₉H₁₀N₄O₂

SMILES

CCC1=NN2C(=CC(=NC2=N1)C)C(=O)O

InChI

InChI=1S/C9H10N4O2/c1-3-7-11-9-10-5(2)4-6(8(14)15)13(9)12-7/h4H,3H2,1-2H3,(H,14,15)

InChIKey

FCDDMOXOAJDVLP-UHFFFAOYSA-N

Compound name

2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.08037 Da
Monoisotopic Mass: 1.2
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]+	207.087646	143.8
[M+Na]+	229.069588	155.9
[M-H]-	205.073094	143.0
[M+NH4]+	224.114193	160.1
[M+K]+	245.043528	152.5
[M+H-H2O]+	189.077630	135.9
[M+HCOO]-	251.078571	163.2
[M+CH3COO]-	265.094221	184.7
[M+Na-2H]-	227.055036	149.5
[M]+	206.07982142	147.6
[M]-	206.08091858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.