CID 9560

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Structural Information

Molecular Formula
C7H13O6P
SMILES
CC(=CC(=O)OC)OP(=O)(OC)OC
InChI
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
InChIKey
GEPDYQSQVLXLEU-UHFFFAOYSA-N
Compound name
methyl 3-dimethoxyphosphoryloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

146
References

26300
Patents

224.04497 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05225 145.7
[M+Na]+ 247.03419 152.9
[M-H]- 223.03769 145.1
[M+NH4]+ 242.07879 164.6
[M+K]+ 263.00813 154.7
[M+H-H2O]+ 207.04223 138.9
[M+HCOO]- 269.04317 173.0
[M+CH3COO]- 283.05882 187.1
[M+Na-2H]- 245.01964 147.9
[M]+ 224.04442 153.9
[M]- 224.04552 153.9
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.