CID 12814061

84384-71-4

Structural Information

Molecular Formula

C₇H₆N₄O₃

SMILES

C1=C2C(=O)N(N=CN2N=C1)CC(=O)O

InChI

InChI=1S/C7H6N4O3/c12-6(13)3-10-7(14)5-1-2-8-11(5)4-9-10/h1-2,4H,3H2,(H,12,13)

InChIKey

YBWSKZFXENCATM-UHFFFAOYSA-N

Compound name

2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.04399 Da
Monoisotopic Mass: -0.4
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	136.3
[M+Na]+	217.03321	148.4
[M-H]-	193.03671	135.5
[M+NH4]+	212.07781	152.7
[M+K]+	233.00715	145.5
[M+H-H2O]+	177.04125	128.4
[M+HCOO]-	239.04219	156.7
[M+CH3COO]-	253.05784	179.0
[M+Na-2H]-	215.01866	143.8
[M]+	194.04344	139.7
[M]-	194.04454	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe