CID 954114

2-(2-ethoxy-6-formylphenoxy)acetic acid

Structural Information

Molecular Formula
C11H12O5
SMILES
CCOC1=CC=CC(=C1OCC(=O)O)C=O
InChI
InChI=1S/C11H12O5/c1-2-15-9-5-3-4-8(6-12)11(9)16-7-10(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey
YPPIUPDVZUCYEI-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-6-formylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

224.06847 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.075746 145.1
[M+Na]+ 247.057688 153.0
[M-H]- 223.061194 147.6
[M+NH4]+ 242.102293 162.7
[M+K]+ 263.031628 151.8
[M+H-H2O]+ 207.065730 139.0
[M+HCOO]- 269.066671 168.0
[M+CH3COO]- 283.082321 186.5
[M+Na-2H]- 245.043136 149.3
[M]+ 224.06792142 149.8
[M]- 224.06901858 149.8
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

patents stripe