CID 9837207

325793-65-5

Structural Information

Molecular Formula
C11H14O4
SMILES
CCO[C@@H](CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C11H14O4/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10,12H,2,7H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
FMJUDUJLTNVWCH-JTQLQIEISA-N
Compound name
(2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

210.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 145.4
[M+Na]+ 233.07842 151.6
[M-H]- 209.08192 146.3
[M+NH4]+ 228.12302 162.7
[M+K]+ 249.05236 150.0
[M+H-H2O]+ 193.08646 139.7
[M+HCOO]- 255.08740 165.4
[M+CH3COO]- 269.10305 182.4
[M+Na-2H]- 231.06387 148.4
[M]+ 210.08865 146.5
[M]- 210.08975 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe