CID 38315

P-nitrophenylacetamidine hydrochloride

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

C1=CC(=CC=C1CC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O2/c9-8(10)5-6-1-3-7(4-2-6)11(12)13/h1-4H,5H2,(H3,9,10)

InChIKey

GQBBCZNEDGPMCS-UHFFFAOYSA-N

Compound name

2-(4-nitrophenyl)ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 179.06947 Da
Monoisotopic Mass: 0.8
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]+	180.07675	135.2
[M+Na]+	202.05869	146.1
[M+NH4]+	197.10329	142.7
[M+K]+	218.03263	143.7
[M-H]-	178.06219	138.9
[M+Na-2H]-	200.04414	141.1
[M]+	179.06892	137.3
[M]-	179.07002	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe