CID 139023953

1699470-30-8

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

CC1=CN=C(N=C1C(=O)O)C2=NN(C=C2)C

InChI

InChI=1S/C10H10N4O2/c1-6-5-11-9(12-8(6)10(15)16)7-3-4-14(2)13-7/h3-5H,1-2H3,(H,15,16)

InChIKey

XSUXLXMTJANBKT-UHFFFAOYSA-N

Compound name

5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.08037 Da
Monoisotopic Mass: 0.4
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]+	219.087646	147.0
[M+Na]+	241.069588	157.6
[M-H]-	217.073094	148.3
[M+NH4]+	236.114193	161.4
[M+K]+	257.043528	154.2
[M+H-H2O]+	201.077630	138.2
[M+HCOO]-	263.078571	166.3
[M+CH3COO]-	277.094221	186.1
[M+Na-2H]-	239.055036	150.6
[M]+	218.07982142	148.4
[M]-	218.08091858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.