CID 202444

4-nitrobenzaldehyde 2,2-dimethylhydrazone

Structural Information

Molecular Formula

C₉H₁₁N₃O₂

SMILES

CN(C)N=CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O2/c1-11(2)10-7-8-3-5-9(6-4-8)12(13)14/h3-7H,1-2H3

InChIKey

IPBHNKLEYSNEBU-UHFFFAOYSA-N

Compound name

N-methyl-N-[(4-nitrophenyl)methylideneamino]methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 193.08513 Da
Monoisotopic Mass: 2.4
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]+	194.09241	139.1
[M+Na]+	216.07435	145.4
[M-H]-	192.07785	145.7
[M+NH4]+	211.11895	158.5
[M+K]+	232.04829	141.4
[M+H-H2O]+	176.08239	136.7
[M+HCOO]-	238.08333	169.0
[M+CH3COO]-	252.09898	187.9
[M+Na-2H]-	214.05980	147.7
[M]+	193.08458	139.1
[M]-	193.08568	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe