CID 135813635

1h,2h,3h-[1,3]diazolo[1,2-a]imidazole

Structural Information

Molecular Formula

C₅H₇N₃

SMILES

C1CN2C=CN=C2N1

InChI

InChI=1S/C5H7N3/c1-3-8-4-2-7-5(8)6-1/h1,3H,2,4H2,(H,6,7)

InChIKey

ISIOZKZXXAFJTG-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-imidazo[1,2-a]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 111
Patents: 109.063995 Da
Monoisotopic Mass: 0.0
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]+	110.07127	119.8
[M+Na]+	132.05321	128.8
[M-H]-	108.05672	119.1
[M+NH4]+	127.09782	142.4
[M+K]+	148.02715	127.2
[M+H-H2O]+	92.061255	112.7
[M+HCOO]-	154.06220	140.3
[M+CH3COO]-	168.07785	133.5
[M+Na-2H]-	130.03866	126.2
[M]+	109.06345	117.0
[M]-	109.06454	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe