CID 3056669

73825-68-0

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CC(C)(CNC1CCCCC1)[N+](=O)[O-]

InChI

InChI=1S/C10H20N2O2/c1-10(2,12(13)14)8-11-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3

InChIKey

ZDVUJVMRWXEEPN-UHFFFAOYSA-N

Compound name

N-(2-methyl-2-nitropropyl)cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.15248 Da
Monoisotopic Mass: 2.5
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]+	201.15976	145.6
[M+Na]+	223.14170	148.0
[M-H]-	199.14520	147.9
[M+NH4]+	218.18630	163.4
[M+K]+	239.11564	143.1
[M+H-H2O]+	183.14974	144.4
[M+HCOO]-	245.15068	166.2
[M+CH3COO]-	259.16633	181.8
[M+Na-2H]-	221.12715	152.5
[M]+	200.15193	139.3
[M]-	200.15303	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe