CID 176472573

3-[4-(carboxymethyl)phenoxy]-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C11H12O6
SMILES
C1=CC(=CC=C1CC(=O)O)OCC(C(=O)O)O
InChI
InChI=1S/C11H12O6/c12-9(11(15)16)6-17-8-3-1-7(2-4-8)5-10(13)14/h1-4,9,12H,5-6H2,(H,13,14)(H,15,16)
InChIKey
NZNMRHMSKZVSRQ-UHFFFAOYSA-N
Compound name
3-[4-(carboxymethyl)phenoxy]-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06339 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.070666 149.8
[M+Na]+ 263.052608 155.2
[M-H]- 239.056114 149.2
[M+NH4]+ 258.097213 164.6
[M+K]+ 279.026548 153.9
[M+H-H2O]+ 223.060650 143.8
[M+HCOO]- 285.061591 167.8
[M+CH3COO]- 299.077241 184.5
[M+Na-2H]- 261.038056 151.1
[M]+ 240.06284142 150.5
[M]- 240.06393858 150.5
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.