CID 6365306

Sd 4455

Structural Information

Molecular Formula

C₆H₁₁O₆P

SMILES

C/C(=C\C(=O)O)/OP(=O)(OC)OC

InChI

InChI=1S/C6H11O6P/c1-5(4-6(7)8)12-13(9,10-2)11-3/h4H,1-3H3,(H,7,8)/b5-4+

InChIKey

SMKWBNVXDMCGRW-SNAWJCMRSA-N

Compound name

(E)-3-dimethoxyphosphoryloxybut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 210.02933 Da
Monoisotopic Mass: 0.9
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]+	211.03661	142.1
[M+Na]+	233.01855	149.1
[M-H]-	209.02205	140.1
[M+NH4]+	228.06315	160.6
[M+K]+	248.99249	150.2
[M+H-H2O]+	193.02659	135.5
[M+HCOO]-	255.02753	168.1
[M+CH3COO]-	269.04318	182.2
[M+Na-2H]-	231.00400	144.1
[M]+	210.02878	148.0
[M]-	210.02988	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe