CID 1910189

Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula

C₇H₅N₃O₂

SMILES

C1=CN2C(=C(C=N2)C(=O)O)N=C1

InChI

InChI=1S/C7H5N3O2/c11-7(12)5-4-9-10-3-1-2-8-6(5)10/h1-4H,(H,11,12)

InChIKey

HNYVPKNVKSTVJO-UHFFFAOYSA-N

Compound name

pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 852
Patents: 163.03818 Da
Monoisotopic Mass: -0.1
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]+	164.04546	129.8
[M+Na]+	186.02740	142.9
[M+NH4]+	181.07200	137.0
[M+K]+	202.00134	140.0
[M-H]-	162.03090	129.2
[M+Na-2H]-	184.01285	136.0
[M]+	163.03763	131.3
[M]-	163.03873	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe