CID 113295

63468-98-4

Structural Information

Molecular Formula

C₉H₉N₂O₂

SMILES

CCOC(=O)C1=CC=C(C=C1)[N+]#N

InChI

InChI=1S/C9H9N2O2/c1-2-13-9(12)7-3-5-8(11-10)6-4-7/h3-6H,2H2,1H3/q+1

InChIKey

QMGOFPLWDCXBFN-UHFFFAOYSA-N

Compound name

4-ethoxycarbonylbenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 177.0664 Da
Monoisotopic Mass: 3.5
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]+	178.07368	139.5
[M+Na]+	200.05562	149.2
[M-H]-	176.05912	144.3
[M+NH4]+	195.10022	157.6
[M+K]+	216.02956	143.0
[M+H-H2O]+	160.06366	129.2
[M+HCOO]-	222.06460	161.9
[M+CH3COO]-	236.08025	190.3
[M+Na-2H]-	198.04107	147.6
[M]+	177.06585	135.7
[M]-	177.06695	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe