CID 131139094

1936213-78-3

Structural Information

Molecular Formula

C₆H₆N₄O₃

SMILES

C1CN2C(=CC(=N2)[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C6H6N4O3/c11-6-4-3-5(10(12)13)8-9(4)2-1-7-6/h3H,1-2H2,(H,7,11)

InChIKey

NEJZJOKZLKDUAD-UHFFFAOYSA-N

Compound name

2-nitro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 182.04399 Da
Monoisotopic Mass: -0.3
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]+	183.05127	133.2
[M+Na]+	205.03321	141.3
[M-H]-	181.03671	132.9
[M+NH4]+	200.07781	150.3
[M+K]+	221.00715	134.9
[M+H-H2O]+	165.04125	130.5
[M+HCOO]-	227.04219	152.6
[M+CH3COO]-	241.05784	170.6
[M+Na-2H]-	203.01866	141.7
[M]+	182.04344	128.5
[M]-	182.04454	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe