CID 44486

N-methyl-n-nitrosobenzamide

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

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

InChI

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

InChIKey

SLTNUKIKMOOUID-UHFFFAOYSA-N

Compound name

N-methyl-N-nitrosobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 164.05858 Da
Monoisotopic Mass: 0.3
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	131.2
[M+Na]+	187.04780	138.2
[M-H]-	163.05130	137.9
[M+NH4]+	182.09240	152.3
[M+K]+	203.02174	139.1
[M+H-H2O]+	147.05584	124.4
[M+HCOO]-	209.05678	160.1
[M+CH3COO]-	223.07243	186.6
[M+Na-2H]-	185.03325	139.1
[M]+	164.05803	133.2
[M]-	164.05913	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe