CID 3063439

Phosphonic acid, (m-ethylaminophenyl)-

Structural Information

Molecular Formula

C₈H₁₂NO₃P

SMILES

CCNC1=CC(=CC=C1)P(=O)(O)O

InChI

InChI=1S/C8H12NO3P/c1-2-9-7-4-3-5-8(6-7)13(10,11)12/h3-6,9H,2H2,1H3,(H2,10,11,12)

InChIKey

VIQKVQWMIHTURR-UHFFFAOYSA-N

Compound name

[3-(ethylamino)phenyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.05548 Da
Monoisotopic Mass: 0.3
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]+	202.06276	144.1
[M+Na]+	224.04470	151.0
[M-H]-	200.04820	144.2
[M+NH4]+	219.08930	162.2
[M+K]+	240.01864	148.8
[M+H-H2O]+	184.05274	136.6
[M+HCOO]-	246.05368	171.3
[M+CH3COO]-	260.06933	181.8
[M+Na-2H]-	222.03015	148.2
[M]+	201.05493	143.9
[M]-	201.05603	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe