CID 2735518

1052402-84-2

Structural Information

Molecular Formula

C₉H₁₄N₄O₂

SMILES

CN(C)C1=NC(=NC(=C1)C(=O)O)N(C)C

InChI

InChI=1S/C9H14N4O2/c1-12(2)7-5-6(8(14)15)10-9(11-7)13(3)4/h5H,1-4H3,(H,14,15)

InChIKey

DWPRJVXKQCFURP-UHFFFAOYSA-N

Compound name

2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 210.11168 Da
Monoisotopic Mass: 1.0
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]+	211.11896	145.9
[M+Na]+	233.10090	153.3
[M-H]-	209.10440	148.9
[M+NH4]+	228.14550	162.3
[M+K]+	249.07484	153.8
[M+H-H2O]+	193.10894	137.8
[M+HCOO]-	255.10988	169.1
[M+CH3COO]-	269.12553	197.4
[M+Na-2H]-	231.08635	150.4
[M]+	210.11113	148.3
[M]-	210.11223	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe