CID 6433704

17747-24-9

Structural Information

Molecular Formula
C15H21O6P
SMILES
CCC(C1=CC=CC=C1)OC(=O)/C=C(/C)\OP(=O)(OC)OC
InChI
InChI=1S/C15H21O6P/c1-5-14(13-9-7-6-8-10-13)20-15(16)11-12(2)21-22(17,18-3)19-4/h6-11,14H,5H2,1-4H3/b12-11-
InChIKey
VXGOMXKHOGFASB-QXMHVHEDSA-N
Compound name
1-phenylpropyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10757 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11485 176.2
[M+Na]+ 351.09679 180.6
[M-H]- 327.10029 177.9
[M+NH4]+ 346.14139 190.2
[M+K]+ 367.07073 180.8
[M+H-H2O]+ 311.10483 167.0
[M+HCOO]- 373.10577 201.3
[M+CH3COO]- 387.12142 207.4
[M+Na-2H]- 349.08224 175.4
[M]+ 328.10702 183.7
[M]- 328.10812 183.7
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.