CID 54109092

1378951-96-2

Structural Information

Molecular Formula

C₇H₅N₃O₃

SMILES

C1=CN=C2C(=CNN2C1=O)C(=O)O

InChI

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

InChIKey

NFUSYCUHRCOUIN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 179.0331 Da
Monoisotopic Mass: -0.6
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]+	180.04038	133.4
[M+Na]+	202.02232	145.8
[M+NH4]+	197.06692	139.3
[M+K]+	217.99626	143.8
[M-H]-	178.02582	131.5
[M+Na-2H]-	200.00777	138.0
[M]+	179.03255	134.2
[M]-	179.03365	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe