CID 91812067

1935580-16-7

Structural Information

Molecular Formula

C₈H₉N₃O₃

SMILES

CC1CN2C(=CC(=N2)C(=O)O)C(=O)N1

InChI

InChI=1S/C8H9N3O3/c1-4-3-11-6(7(12)9-4)2-5(10-11)8(13)14/h2,4H,3H2,1H3,(H,9,12)(H,13,14)

InChIKey

PVFMQTPYIIUUBF-UHFFFAOYSA-N

Compound name

6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.06439 Da
Monoisotopic Mass: -0.2
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]+	196.071666	141.0
[M+Na]+	218.053608	150.2
[M-H]-	194.057114	139.3
[M+NH4]+	213.098213	158.0
[M+K]+	234.027548	147.0
[M+H-H2O]+	178.061650	134.3
[M+HCOO]-	240.062591	156.6
[M+CH3COO]-	254.078241	178.6
[M+Na-2H]-	216.039056	143.9
[M]+	195.06384142	138.5
[M]-	195.06493858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.