CID 18980

1,3-diiminoisoindoline

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC=C2C(=C1)C(=NC2=N)N

InChI

InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)

InChIKey

RZVCEPSDYHAHLX-UHFFFAOYSA-N

Compound name

3-iminoisoindol-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 3741
Patents: 145.064 Da
Monoisotopic Mass: 0.5
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]+	146.07128	126.9
[M+Na]+	168.05322	138.7
[M+NH4]+	163.09782	136.0
[M+K]+	184.02716	134.3
[M-H]-	144.05672	129.9
[M+Na-2H]-	166.03867	133.5
[M]+	145.06345	129.2
[M]-	145.06455	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe