CID 5702556

86120-40-3

Structural Information

Molecular Formula

C₇H₁₃O₅P

SMILES

COC(=O)/C=C/CP(=O)(OC)OC

InChI

InChI=1S/C7H13O5P/c1-10-7(8)5-4-6-13(9,11-2)12-3/h4-5H,6H2,1-3H3/b5-4+

InChIKey

PESRINKNQQZURC-SNAWJCMRSA-N

Compound name

methyl (E)-4-dimethoxyphosphorylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 208.05006 Da
Monoisotopic Mass: -0.4
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]+	209.05734	144.1
[M+Na]+	231.03928	151.6
[M-H]-	207.04278	143.4
[M+NH4]+	226.08388	163.7
[M+K]+	247.01322	152.3
[M+H-H2O]+	191.04732	137.3
[M+HCOO]-	253.04826	172.1
[M+CH3COO]-	267.06391	184.1
[M+Na-2H]-	229.02473	147.2
[M]+	208.04951	151.5
[M]-	208.05061	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe