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: 139
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	130.0
[M+Na]+	162.02905	136.9
[M-H]-	138.03255	126.7
[M+NH4]+	157.07365	150.6
[M+K]+	178.00299	136.4
[M+H-H2O]+	122.03709	123.8
[M+HCOO]-	184.03803	157.1
[M+CH3COO]-	198.05368	170.0
[M+Na-2H]-	160.01450	134.7
[M]+	139.03928	130.2
[M]-	139.04038	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe