CID 136257497

197367-86-5

Structural Information

Molecular Formula

C₇H₆N₄O₃

SMILES

C1=C(N2C(=CC(=N2)C(=O)O)NC1=O)N

InChI

InChI=1S/C7H6N4O3/c8-4-2-6(12)9-5-1-3(7(13)14)10-11(4)5/h1-2H,8H2,(H,9,12)(H,13,14)

InChIKey

QCSJVQUKVBBGCI-UHFFFAOYSA-N

Compound name

7-amino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 194.04399 Da
Monoisotopic Mass: -0.9
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]+	195.05127	136.9
[M+Na]+	217.03321	148.1
[M+NH4]+	212.07781	142.1
[M+K]+	233.00715	147.0
[M-H]-	193.03671	135.2
[M+Na-2H]-	215.01866	140.5
[M]+	194.04344	137.5
[M]-	194.04454	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe