CID 264997

Ethyl (2e)-4-(diethoxyphosphoryl)but-2-enoate

Structural Information

Molecular Formula

C₁₀H₁₉O₅P

SMILES

CCOC(=O)C=CCP(=O)(OCC)OCC

InChI

InChI=1S/C10H19O5P/c1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3/h7-8H,4-6,9H2,1-3H3

InChIKey

LXLODBXSCRTXFG-UHFFFAOYSA-N

Compound name

ethyl 4-diethoxyphosphorylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 735
Patents: 250.09702 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]+	251.10430	158.6
[M+Na]+	273.08624	164.8
[M-H]-	249.08974	157.3
[M+NH4]+	268.13084	176.5
[M+K]+	289.06018	164.8
[M+H-H2O]+	233.09428	151.2
[M+HCOO]-	295.09522	185.6
[M+CH3COO]-	309.11087	193.2
[M+Na-2H]-	271.07169	160.1
[M]+	250.09647	167.1
[M]-	250.09757	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe