CID 3043944

2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propanoic acid

Structural Information

Molecular Formula
C12H16O5
SMILES
COCCC1=CC=C(C=C1)OCC(C(=O)O)O
InChI
InChI=1S/C12H16O5/c1-16-7-6-9-2-4-10(5-3-9)17-8-11(13)12(14)15/h2-5,11,13H,6-8H2,1H3,(H,14,15)
InChIKey
PQIWJWWULVHOAA-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

240.09978 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10706 152.7
[M+Na]+ 263.08900 158.3
[M-H]- 239.09250 153.3
[M+NH4]+ 258.13360 168.6
[M+K]+ 279.06294 157.0
[M+H-H2O]+ 223.09704 146.4
[M+HCOO]- 285.09798 172.5
[M+CH3COO]- 299.11363 187.5
[M+Na-2H]- 261.07445 155.2
[M]+ 240.09923 155.6
[M]- 240.10033 155.6
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