CID 13404591

Cyclohexylamine, n,n'-((3,3-oxetanediyl)dimethylene)bis-

Structural Information

Molecular Formula

C₁₇H₃₂N₂O

SMILES

C1CCC(CC1)NCC2(COC2)CNC3CCCCC3

InChI

InChI=1S/C17H32N2O/c1-3-7-15(8-4-1)18-11-17(13-20-14-17)12-19-16-9-5-2-6-10-16/h15-16,18-19H,1-14H2

InChIKey

IROKWDYFNLWRDQ-UHFFFAOYSA-N

Compound name

N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.25146 Da
Monoisotopic Mass: 2.7
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]+	281.258736	164.8
[M+Na]+	303.240678	161.5
[M-H]-	279.244184	171.5
[M+NH4]+	298.285283	172.9
[M+K]+	319.214618	163.3
[M+H-H2O]+	263.248720	150.9
[M+HCOO]-	325.249661	179.0
[M+CH3COO]-	339.265311	205.7
[M+Na-2H]-	301.226126	167.6
[M]+	280.25091142	163.1
[M]-	280.25200858	163.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.