CID 5467950

Nsc660669

Structural Information

Molecular Formula
C11H13O7P
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OC)OP(=O)(O)O
InChI
InChI=1S/C11H13O7P/c1-16-10-7-8(4-6-11(12)17-2)3-5-9(10)18-19(13,14)15/h3-7H,1-2H3,(H2,13,14,15)/b6-4+
InChIKey
GKUPHQXLTQSDOS-GQCTYLIASA-N
Compound name
methyl (E)-3-(3-methoxy-4-phosphonooxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0399 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04718 160.1
[M+Na]+ 311.02912 167.3
[M-H]- 287.03262 160.2
[M+NH4]+ 306.07372 174.9
[M+K]+ 327.00306 166.5
[M+H-H2O]+ 271.03716 152.0
[M+HCOO]- 333.03810 185.5
[M+CH3COO]- 347.05375 193.7
[M+Na-2H]- 309.01457 161.6
[M]+ 288.03935 165.7
[M]- 288.04045 165.7
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.