CID 107260

4302-92-5

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(CC1=CC=CC=C1[N+](=O)[O-])NC

InChI

InChI=1S/C10H14N2O2/c1-8(11-2)7-9-5-3-4-6-10(9)12(13)14/h3-6,8,11H,7H2,1-2H3

InChIKey

GPGIHKMMXVEDQK-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-nitrophenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 2.0
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]+	195.112806	141.5
[M+Na]+	217.094748	147.2
[M-H]-	193.098254	145.2
[M+NH4]+	212.139353	159.9
[M+K]+	233.068688	141.7
[M+H-H2O]+	177.102790	139.9
[M+HCOO]-	239.103731	167.0
[M+CH3COO]-	253.119381	182.3
[M+Na-2H]-	215.080196	148.3
[M]+	194.10498142	139.7
[M]-	194.10607858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.