CID 514149

2-[hydroxy-(4-methoxyphenyl)phosphoryl]acetic acid

Structural Information

Molecular Formula
C9H11O5P
SMILES
COC1=CC=C(C=C1)P(=O)(CC(=O)O)O
InChI
InChI=1S/C9H11O5P/c1-14-7-2-4-8(5-3-7)15(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)(H,12,13)
InChIKey
ZNKVKEWSMWAQTM-UHFFFAOYSA-N
Compound name
2-[hydroxy-(4-methoxyphenyl)phosphoryl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.03441 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04169 148.4
[M+Na]+ 253.02363 155.6
[M-H]- 229.02713 148.5
[M+NH4]+ 248.06823 165.4
[M+K]+ 268.99757 154.3
[M+H-H2O]+ 213.03167 140.9
[M+HCOO]- 275.03261 173.9
[M+CH3COO]- 289.04826 184.0
[M+Na-2H]- 251.00908 151.0
[M]+ 230.03386 150.9
[M]- 230.03496 150.9
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.