CID 135455844

675830-69-0

Structural Information

Molecular Formula

C₈H₇N₃O₃

SMILES

CC1=CC(=O)NC2=CC(=NN12)C(=O)O

InChI

InChI=1S/C8H7N3O3/c1-4-2-7(12)9-6-3-5(8(13)14)10-11(4)6/h2-3H,1H3,(H,9,12)(H,13,14)

InChIKey

IDXDCHOXWPFNFU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 193.04874 Da
Monoisotopic Mass: 0.0
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]+	194.05602	138.0
[M+Na]+	216.03796	150.6
[M+NH4]+	211.08256	143.7
[M+K]+	232.01190	148.5
[M-H]-	192.04146	136.2
[M+Na-2H]-	214.02341	142.1
[M]+	193.04819	138.9
[M]-	193.04929	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe