CID 5467573

Nsc655950

Structural Information

Molecular Formula
C14H21O6P
SMILES
CCOC(=O)/C(=C\C1=CC=C(O1)C)/P(=O)(OCC)OCC
InChI
InChI=1S/C14H21O6P/c1-5-17-14(15)13(10-12-9-8-11(4)20-12)21(16,18-6-2)19-7-3/h8-10H,5-7H2,1-4H3/b13-10+
InChIKey
AQISTQMXBBBROQ-JLHYYAGUSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-(5-methylfuran-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10757 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11485 174.6
[M+Na]+ 339.09679 180.4
[M-H]- 315.10029 177.3
[M+NH4]+ 334.14139 190.0
[M+K]+ 355.07073 181.2
[M+H-H2O]+ 299.10483 166.5
[M+HCOO]- 361.10577 200.7
[M+CH3COO]- 375.12142 204.8
[M+Na-2H]- 337.08224 173.8
[M]+ 316.10702 183.9
[M]- 316.10812 183.9
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.