CID 13238367

4-(methylnitrosoamino)benzaldehyde

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

CN(C1=CC=C(C=C1)C=O)N=O

InChI

InChI=1S/C8H8N2O2/c1-10(9-12)8-4-2-7(6-11)3-5-8/h2-6H,1H3

InChIKey

MFPNZVRAGLEUPZ-UHFFFAOYSA-N

Compound name

N-(4-formylphenyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 164.05858 Da
Monoisotopic Mass: 1.5
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]+	165.06586	132.2
[M+Na]+	187.04780	144.0
[M+NH4]+	182.09240	140.4
[M+K]+	203.02174	138.2
[M-H]-	163.05130	135.5
[M+Na-2H]-	185.03325	140.0
[M]+	164.05803	134.6
[M]-	164.05913	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe