CID 31199

122-10-1

Structural Information

Molecular Formula

C₉H₁₅O₈P

SMILES

COC(=O)CC(=CC(=O)OC)OP(=O)(OC)OC

InChI

InChI=1S/C9H15O8P/c1-13-8(10)5-7(6-9(11)14-2)17-18(12,15-3)16-4/h5H,6H2,1-4H3

InChIKey

BZSSHIWHSJYWAD-UHFFFAOYSA-N

Compound name

dimethyl 3-dimethoxyphosphoryloxypent-2-enedioate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1
References: 677
Patents: 282.05045 Da
Monoisotopic Mass: 0.6
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]+	283.057726	156.6
[M+Na]+	305.039668	162.7
[M-H]-	281.043174	155.7
[M+NH4]+	300.084273	176.8
[M+K]+	321.013608	165.3
[M+H-H2O]+	265.047710	149.2
[M+HCOO]-	327.048651	184.1
[M+CH3COO]-	341.064301	196.6
[M+Na-2H]-	303.025116	157.4
[M]+	282.04990142	167.0
[M]-	282.05099858	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe