CID 31199

Bomyl

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: 575
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]+	283.05773	156.6
[M+Na]+	305.03967	162.7
[M-H]-	281.04317	155.7
[M+NH4]+	300.08427	176.8
[M+K]+	321.01361	165.3
[M+H-H2O]+	265.04771	149.2
[M+HCOO]-	327.04865	184.1
[M+CH3COO]-	341.06430	196.6
[M+Na-2H]-	303.02512	157.4
[M]+	282.04990	167.0
[M]-	282.05100	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe