CID 10034951

Ethyl (3-aminopropyl)(methyl)phosphinate

Structural Information

Molecular Formula

C₆H₁₆NO₂P

SMILES

CCOP(=O)(C)CCCN

InChI

InChI=1S/C6H16NO2P/c1-3-9-10(2,8)6-4-5-7/h3-7H2,1-2H3

InChIKey

BFMKMKPANRDAFF-UHFFFAOYSA-N

Compound name

3-[ethoxy(methyl)phosphoryl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 165.09187 Da
Monoisotopic Mass: -0.8
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]+	166.09915	140.2
[M+Na]+	188.08109	146.8
[M-H]-	164.08459	138.8
[M+NH4]+	183.12569	161.1
[M+K]+	204.05503	146.5
[M+H-H2O]+	148.08913	133.3
[M+HCOO]-	210.09007	168.6
[M+CH3COO]-	224.10572	181.7
[M+Na-2H]-	186.06654	143.3
[M]+	165.09132	143.0
[M]-	165.09242	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe