CID 2734718

88568-95-0

Structural Information

Molecular Formula

C₁₃H₁₈NO₇P

SMILES

COC(=O)C(NC(=O)OCC1=CC=CC=C1)P(=O)(OC)OC

InChI

InChI=1S/C13H18NO7P/c1-18-12(15)11(22(17,19-2)20-3)14-13(16)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,16)

InChIKey

GSYSFVSGPABNNL-UHFFFAOYSA-N

Compound name

methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5000
Patents: 331.0821 Da
Monoisotopic Mass: 0.7
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]+	332.08938	172.2
[M+Na]+	354.07132	178.6
[M+NH4]+	349.11592	175.1
[M+K]+	370.04526	177.4
[M-H]-	330.07482	169.5
[M+Na-2H]-	352.05677	174.0
[M]+	331.08155	171.7
[M]-	331.08265	171.7

Literature stripe

literature stripe

Patent stripe

patents stripe