CID 49756603

120267-00-7

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

C1CN2CCN=C2N1

InChI

InChI=1S/C5H9N3/c1-3-8-4-2-7-5(8)6-1/h1-4H2,(H,6,7)

InChIKey

ROYYTESGJKJHTH-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 169
Patents: 111.07965 Da
Monoisotopic Mass: -1.0
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]+	112.08693	121.9
[M+Na]+	134.06887	131.5
[M+NH4]+	129.11347	130.4
[M+K]+	150.04281	129.9
[M-H]-	110.07237	121.2
[M+Na-2H]-	132.05432	125.6
[M]+	111.07910	122.7
[M]-	111.08020	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe