CID 79533

Benzenamine, n-(2-methyl-2-nitropropyl)-

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)(CNC1=CC=CC=C1)[N+](=O)[O-]

InChI

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

InChIKey

VXMCOYAYZHUGIT-UHFFFAOYSA-N

Compound name

N-(2-methyl-2-nitropropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 194.10553 Da
Monoisotopic Mass: 2.8
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]+	195.11281	141.0
[M+Na]+	217.09475	146.4
[M-H]-	193.09825	144.6
[M+NH4]+	212.13935	159.3
[M+K]+	233.06869	140.9
[M+H-H2O]+	177.10279	139.7
[M+HCOO]-	239.10373	166.0
[M+CH3COO]-	253.11938	180.7
[M+Na-2H]-	215.08020	150.8
[M]+	194.10498	139.0
[M]-	194.10608	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe