CID 60991

N-methyl-n,4-dinitrosoaniline

Structural Information

Molecular Formula

C₇H₇N₃O₂

SMILES

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

InChI

InChI=1S/C7H7N3O2/c1-10(9-12)7-4-2-6(8-11)3-5-7/h2-5H,1H3

InChIKey

FMGUJLASXUBMOP-UHFFFAOYSA-N

Compound name

N-methyl-N-(4-nitrosophenyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 799
Patents: 165.05383 Da
Monoisotopic Mass: 1.1
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]+	166.06111	131.7
[M+Na]+	188.04305	142.9
[M+NH4]+	183.08765	139.9
[M+K]+	204.01699	137.5
[M-H]-	164.04655	135.7
[M+Na-2H]-	186.02850	140.0
[M]+	165.05328	134.1
[M]-	165.05438	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe