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

674
Patents

282.05045 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.