CID 5467924

Nsc660144

Structural Information

Molecular Formula
C14H21O7P
SMILES
CCOC(=O)/C(=C\C1=CC=C(O1)CO)/P(=O)(OCC)OCC
InChI
InChI=1S/C14H21O7P/c1-4-18-14(16)13(22(17,19-5-2)20-6-3)9-11-7-8-12(10-15)21-11/h7-9,15H,4-6,10H2,1-3H3/b13-9+
InChIKey
LWPOCTRSPMRIIZ-UKTHLTGXSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.10248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10976 177.5
[M+Na]+ 355.09170 182.6
[M-H]- 331.09520 178.8
[M+NH4]+ 350.13630 191.4
[M+K]+ 371.06564 183.2
[M+H-H2O]+ 315.09974 169.4
[M+HCOO]- 377.10068 202.2
[M+CH3COO]- 391.11633 204.6
[M+Na-2H]- 353.07715 176.6
[M]+ 332.10193 186.3
[M]- 332.10303 186.3
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.