CID 3015582

80638-08-0

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CN(CC1=CC=CC=C1[N+](=O)[O-])C2CCCCC2

InChI

InChI=1S/C14H20N2O2/c1-15(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)16(17)18/h5-7,10,13H,2-4,8-9,11H2,1H3

InChIKey

GDRZPWMSPDDHEA-UHFFFAOYSA-N

Compound name

N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 248.15248 Da
Monoisotopic Mass: 3.8
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]+	249.15976	156.9
[M+Na]+	271.14170	168.9
[M+NH4]+	266.18630	165.9
[M+K]+	287.11564	164.4
[M-H]-	247.14520	163.5
[M+Na-2H]-	269.12715	164.4
[M]+	248.15193	160.3
[M]-	248.15303	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe