CID 1800506

Diisopropyl (ethoxycarbonylmethyl)phosphonate

Structural Information

Molecular Formula

C₁₀H₂₁O₅P

SMILES

CCOC(=O)CP(=O)(OC(C)C)OC(C)C

InChI

InChI=1S/C10H21O5P/c1-6-13-10(11)7-16(12,14-8(2)3)15-9(4)5/h8-9H,6-7H2,1-5H3

InChIKey

YZEWJYIDAAGEHA-UHFFFAOYSA-N

Compound name

ethyl 2-di(propan-2-yloxy)phosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 252.11266 Da
Monoisotopic Mass: 1.4
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]+	253.11994	159.5
[M+Na]+	275.10188	165.0
[M-H]-	251.10538	158.4
[M+NH4]+	270.14648	177.3
[M+K]+	291.07582	166.6
[M+H-H2O]+	235.10992	152.4
[M+HCOO]-	297.11086	184.4
[M+CH3COO]-	311.12651	196.5
[M+Na-2H]-	273.08733	158.6
[M]+	252.11211	167.6
[M]-	252.11321	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe