CID 84656734

1784874-23-2

Structural Information

Molecular Formula

C₇H₅N₃O₃

SMILES

C1=CN2C(=N1)C=C(NC2=O)C(=O)O

InChI

InChI=1S/C7H5N3O3/c11-6(12)4-3-5-8-1-2-10(5)7(13)9-4/h1-3H,(H,9,13)(H,11,12)

InChIKey

RNTZHOMQHSROIX-UHFFFAOYSA-N

Compound name

5-oxo-6H-imidazo[1,2-c]pyrimidine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.0331 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]+	180.040376	132.1
[M+Na]+	202.022318	143.8
[M-H]-	178.025824	131.4
[M+NH4]+	197.066923	149.8
[M+K]+	217.996258	140.3
[M+H-H2O]+	162.030360	125.3
[M+HCOO]-	224.031301	152.4
[M+CH3COO]-	238.046951	173.5
[M+Na-2H]-	200.007766	139.3
[M]+	179.03255142	133.2
[M]-	179.03364858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.