CID 11877

610-17-3

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CN(C)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C8H10N2O2/c1-9(2)7-5-3-4-6-8(7)10(11)12/h3-6H,1-2H3

InChIKey

NPZDNLCYFLDJFA-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1080
Patents: 166.07423 Da
Monoisotopic Mass: 1.9
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]+	167.081506	131.9
[M+Na]+	189.063448	138.8
[M-H]-	165.066954	137.3
[M+NH4]+	184.108053	152.1
[M+K]+	205.037388	134.8
[M+H-H2O]+	149.071490	130.4
[M+HCOO]-	211.072431	159.5
[M+CH3COO]-	225.088081	179.0
[M+Na-2H]-	187.048896	140.2
[M]+	166.07368142	131.2
[M]-	166.07477858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe