CID 151438

Demanyl phosphate

Structural Information

Molecular Formula

C₄H₁₂NO₄P

SMILES

CN(C)CCOP(=O)(O)O

InChI

InChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)

InChIKey

BLHVJAAEHMLMOI-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 275
Patents: 169.0504 Da
Monoisotopic Mass: -3.8
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]+	170.05768	135.9
[M+Na]+	192.03962	142.4
[M-H]-	168.04312	133.9
[M+NH4]+	187.08422	155.9
[M+K]+	208.01356	143.7
[M+H-H2O]+	152.04766	129.2
[M+HCOO]-	214.04860	163.5
[M+CH3COO]-	228.06425	178.6
[M+Na-2H]-	190.02507	139.7
[M]+	169.04985	139.2
[M]-	169.05095	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe