CID 439436

N-methylethanolamine phosphate

Structural Information

Molecular Formula

C₃H₁₀NO₄P

SMILES

CNCCOP(=O)(O)O

InChI

InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)

InChIKey

HZDCAHRLLXEQFY-UHFFFAOYSA-N

Compound name

2-(methylamino)ethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 117
Patents: 155.03474 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]+	156.04202	132.1
[M+Na]+	178.02396	138.8
[M-H]-	154.02746	128.7
[M+NH4]+	173.06856	151.9
[M+K]+	193.99790	138.8
[M+H-H2O]+	138.03200	125.6
[M+HCOO]-	200.03294	159.4
[M+CH3COO]-	214.04859	172.2
[M+Na-2H]-	176.00941	137.0
[M]+	155.03419	133.6
[M]-	155.03529	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe