CID 1950

[[n-(benzyloxycarbonyl)amino]methyl]phosphate

Structural Information

Molecular Formula

C₉H₁₂NO₅P

SMILES

C1=CC=C(C=C1)COC(=O)NCP(=O)(O)O

InChI

InChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)

InChIKey

WUNKRZNFNIYEPN-UHFFFAOYSA-N

Compound name

phenylmethoxycarbonylaminomethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 76
Patents: 245.0453 Da
Monoisotopic Mass: -0.3
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]+	246.05258	152.8
[M+Na]+	268.03452	158.2
[M-H]-	244.03802	152.4
[M+NH4]+	263.07912	168.6
[M+K]+	284.00846	156.9
[M+H-H2O]+	228.04256	144.4
[M+HCOO]-	290.04350	179.3
[M+CH3COO]-	304.05915	186.7
[M+Na-2H]-	266.01997	156.3
[M]+	245.04475	153.8
[M]-	245.04585	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe