CID 281241

2-(methylaminoethyl)phosphonate

Structural Information

Molecular Formula

C₃H₁₀NO₃P

SMILES

CNCCP(=O)(O)O

InChI

InChI=1S/C3H10NO3P/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)

InChIKey

KMMKKNKMHUQJAW-UHFFFAOYSA-N

Compound name

2-(methylamino)ethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 94
Patents: 139.03983 Da
Monoisotopic Mass: -4.3
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]+	140.04711	128.2
[M+Na]+	162.02905	135.4
[M+NH4]+	157.07365	134.0
[M+K]+	178.00299	132.9
[M-H]-	138.03255	125.1
[M+Na-2H]-	160.01450	129.8
[M]+	139.03928	127.8
[M]-	139.04038	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe