CID 122673591

2041076-72-4

Structural Information

Molecular Formula

C₇H₁₀N₄O

SMILES

CN1CCN2C(=C(C=N2)N)C1=O

InChI

InChI=1S/C7H10N4O/c1-10-2-3-11-6(7(10)12)5(8)4-9-11/h4H,2-3,8H2,1H3

InChIKey

GYXPNPAOECXFBX-UHFFFAOYSA-N

Compound name

3-amino-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 166.08546 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]+	167.09274	134.6
[M+Na]+	189.07468	144.5
[M-H]-	165.07818	135.2
[M+NH4]+	184.11928	154.0
[M+K]+	205.04862	141.9
[M+H-H2O]+	149.08272	127.2
[M+HCOO]-	211.08366	154.5
[M+CH3COO]-	225.09931	180.4
[M+Na-2H]-	187.06013	139.5
[M]+	166.08491	132.3
[M]-	166.08601	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe