CID 397380

89524-98-1

Structural Information

Molecular Formula

C₁₀H₂₀NO₇P

SMILES

CC(C)(C)OC(=O)NC(C(=O)OC)P(=O)(OC)OC

InChI

InChI=1S/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13)

InChIKey

LJHAPRKTPAREGO-UHFFFAOYSA-N

Compound name

methyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 576
Patents: 297.09775 Da
Monoisotopic Mass: 0.2
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]+	298.10503	164.7
[M+Na]+	320.08697	169.7
[M-H]-	296.09047	163.9
[M+NH4]+	315.13157	181.9
[M+K]+	336.06091	172.7
[M+H-H2O]+	280.09501	157.5
[M+HCOO]-	342.09595	187.6
[M+CH3COO]-	356.11160	203.2
[M+Na-2H]-	318.07242	166.4
[M]+	297.09720	173.1
[M]-	297.09830	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe