CID 99582

65659-19-0

Structural Information

Molecular Formula

C₆H₁₆NO₃P

SMILES

CCN(CC)P(=O)(OC)OC

InChI

InChI=1S/C6H16NO3P/c1-5-7(6-2)11(8,9-3)10-4/h5-6H2,1-4H3

InChIKey

CNDASVMCQFLHRG-UHFFFAOYSA-N

Compound name

N-dimethoxyphosphoryl-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 181.08678 Da
Monoisotopic Mass: 0.4
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]+	182.09406	141.0
[M+Na]+	204.07600	147.8
[M-H]-	180.07950	141.7
[M+NH4]+	199.12060	162.2
[M+K]+	220.04994	149.8
[M+H-H2O]+	164.08404	133.8
[M+HCOO]-	226.08498	170.9
[M+CH3COO]-	240.10063	187.9
[M+Na-2H]-	202.06145	144.8
[M]+	181.08623	147.7
[M]-	181.08733	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe