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: 2
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]+	165.065856	130.0
[M+Na]+	187.047798	138.1
[M-H]-	163.051304	137.0
[M+NH4]+	182.092403	151.4
[M+K]+	203.021738	138.6
[M+H-H2O]+	147.055840	123.3
[M+HCOO]-	209.056781	159.9
[M+CH3COO]-	223.072431	187.6
[M+Na-2H]-	185.033246	138.5
[M]+	164.05803142	133.1
[M]-	164.05912858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe