CID 62205751

2,3-dihydro-1h-isoindole-2-carboximidamide hydrochloride

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

C1C2=CC=CC=C2CN1C(=N)N

InChI

InChI=1S/C9H11N3/c10-9(11)12-5-7-3-1-2-4-8(7)6-12/h1-4H,5-6H2,(H3,10,11)

InChIKey

OWHAEVPMSNINKQ-UHFFFAOYSA-N

Compound name

1,3-dihydroisoindole-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 161.09529 Da
Monoisotopic Mass: 0.3
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]+	162.10257	133.5
[M+Na]+	184.08451	143.4
[M+NH4]+	179.12911	142.3
[M+K]+	200.05845	139.6
[M-H]-	160.08801	136.0
[M+Na-2H]-	182.06996	138.8
[M]+	161.09474	135.2
[M]-	161.09584	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe