CID 102330

Dimethyl (dimethoxyphosphinyl)succinate

Structural Information

Molecular Formula

C₈H₁₅O₇P

SMILES

COC(=O)CC(C(=O)OC)P(=O)(OC)OC

InChI

InChI=1S/C8H15O7P/c1-12-7(9)5-6(8(10)13-2)16(11,14-3)15-4/h6H,5H2,1-4H3

InChIKey

LGAMILCIMHCDPT-UHFFFAOYSA-N

Compound name

dimethyl 2-dimethoxyphosphorylbutanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 254.05554 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]+	255.06282	151.9
[M+Na]+	277.04476	158.2
[M-H]-	253.04826	151.1
[M+NH4]+	272.08936	169.4
[M+K]+	293.01870	161.0
[M+H-H2O]+	237.05280	144.8
[M+HCOO]-	299.05374	178.1
[M+CH3COO]-	313.06939	193.1
[M+Na-2H]-	275.03021	152.7
[M]+	254.05499	161.3
[M]-	254.05609	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe