CID 108799

59665-02-0

Structural Information

Molecular Formula

C₉H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C9H11N3O2/c1-12(11-14)7-10-9(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,13)

InChIKey

ISJYDRMADFXOGD-UHFFFAOYSA-N

Compound name

N-[[methyl(nitroso)amino]methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 193.08513 Da
Monoisotopic Mass: 1.3
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]+	194.09241	141.6
[M+Na]+	216.07435	151.1
[M+NH4]+	211.11895	148.9
[M+K]+	232.04829	146.1
[M-H]-	192.07785	144.7
[M+Na-2H]-	214.05980	148.6
[M]+	193.08458	143.4
[M]-	193.08568	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe