CID 22597

Hexanal phenylhydrazone

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCCCCCON=NC1=CC=CC=C1

InChI

InChI=1S/C12H18N2O/c1-2-3-4-8-11-15-14-13-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3

InChIKey

FDQHWWGIEVQUAU-UHFFFAOYSA-N

Compound name

hexoxy(phenyl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 206.1419 Da
Monoisotopic Mass: 4.8
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]+	207.149176	146.7
[M+Na]+	229.131118	152.2
[M-H]-	205.134624	152.3
[M+NH4]+	224.175723	166.3
[M+K]+	245.105058	151.2
[M+H-H2O]+	189.139160	139.0
[M+HCOO]-	251.140101	175.7
[M+CH3COO]-	265.155751	196.0
[M+Na-2H]-	227.116566	154.9
[M]+	206.14135142	150.6
[M]-	206.14244858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe