CID 67537062

1378804-79-5

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

C1CC2=CC(=NN2C1)N

InChI

InChI=1S/C6H9N3/c7-6-4-5-2-1-3-9(5)8-6/h4H,1-3H2,(H2,7,8)

InChIKey

FOGLHKKHHCEEAF-UHFFFAOYSA-N

Compound name

5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 123.07965 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]+	124.08693	122.7
[M+Na]+	146.06887	131.7
[M-H]-	122.07237	124.5
[M+NH4]+	141.11347	146.5
[M+K]+	162.04281	130.1
[M+H-H2O]+	106.07691	116.1
[M+HCOO]-	168.07785	146.1
[M+CH3COO]-	182.09350	137.0
[M+Na-2H]-	144.05432	128.2
[M]+	123.07910	120.2
[M]-	123.08020	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe