CID 141705

32405-88-2

Structural Information

Molecular Formula

C₁₀H₂₂NO₃P

SMILES

CCOP(=O)(NC1CCCCC1)OCC

InChI

InChI=1S/C10H22NO3P/c1-3-13-15(12,14-4-2)11-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,11,12)

InChIKey

XMUAKNOOEOGTHY-UHFFFAOYSA-N

Compound name

N-diethoxyphosphorylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 235.13373 Da
Monoisotopic Mass: 1.8
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]+	236.14101	156.2
[M+Na]+	258.12295	159.1
[M-H]-	234.12645	157.1
[M+NH4]+	253.16755	173.8
[M+K]+	274.09689	158.8
[M+H-H2O]+	218.13099	147.6
[M+HCOO]-	280.13193	181.4
[M+CH3COO]-	294.14758	193.0
[M+Na-2H]-	256.10840	158.2
[M]+	235.13318	156.0
[M]-	235.13428	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe