CID 65878

Fosopamine

Structural Information

Molecular Formula

C₉H₁₄NO₅P

SMILES

CNCCC1=CC(=C(C=C1)OP(=O)(O)O)O

InChI

InChI=1S/C9H14NO5P/c1-10-5-4-7-2-3-9(8(11)6-7)15-16(12,13)14/h2-3,6,10-11H,4-5H2,1H3,(H2,12,13,14)

InChIKey

WHEGQKBWPSOMHG-UHFFFAOYSA-N

Compound name

[2-hydroxy-4-[2-(methylamino)ethyl]phenyl] dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 163
Patents: 247.06096 Da
Monoisotopic Mass: -2.5
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]+	248.06824	153.5
[M+Na]+	270.05018	161.7
[M+NH4]+	265.09478	158.1
[M+K]+	286.02412	159.2
[M-H]-	246.05368	151.7
[M+Na-2H]-	268.03563	156.0
[M]+	247.06041	153.6
[M]-	247.06151	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe