CID 81931

4-[(nitrosomethyl)amino]benzaldehyde

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1=CC(=CC=C1C=O)NCN=O

InChI

InChI=1S/C8H8N2O2/c11-5-7-1-3-8(4-2-7)9-6-10-12/h1-5,9H,6H2

InChIKey

CDQFLVPMMPBMLG-UHFFFAOYSA-N

Compound name

4-(nitrosomethylamino)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.05858 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]+	165.065856	129.8
[M+Na]+	187.047798	137.8
[M-H]-	163.051304	135.2
[M+NH4]+	182.092403	150.6
[M+K]+	203.021738	136.8
[M+H-H2O]+	147.055840	123.3
[M+HCOO]-	209.056781	159.2
[M+CH3COO]-	223.072431	184.1
[M+Na-2H]-	185.033246	139.0
[M]+	164.05803142	131.6
[M]-	164.05912858	131.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.