CID 8749

N,n-dimethyl-4-nitrosoaniline

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

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

InChI

InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3

InChIKey

CMEWLCATCRTSGF-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-nitrosoaniline

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 154
References: 4459
Patents: 150.07932 Da
Monoisotopic Mass: 1.8
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]+	151.08660	129.8
[M+Na]+	173.06854	142.2
[M+NH4]+	168.11314	139.0
[M+K]+	189.04248	135.9
[M-H]-	149.07204	134.0
[M+Na-2H]-	171.05399	138.3
[M]+	150.07877	132.7
[M]-	150.07987	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe