CID 801537

2-(2-ethoxy-4-formylphenoxy)acetic acid

Structural Information

Molecular Formula
C11H12O5
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC(=O)O
InChI
InChI=1S/C11H12O5/c1-2-15-10-5-8(6-12)3-4-9(10)16-7-11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey
BALVFSVIEQRSSY-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-4-formylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

224.06847 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 145.1
[M+Na]+ 247.05769 153.0
[M-H]- 223.06119 147.6
[M+NH4]+ 242.10229 162.7
[M+K]+ 263.03163 151.8
[M+H-H2O]+ 207.06573 139.0
[M+HCOO]- 269.06667 168.0
[M+CH3COO]- 283.08232 186.5
[M+Na-2H]- 245.04314 149.3
[M]+ 224.06792 149.8
[M]- 224.06902 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

literature stripe

Patent stripe

patents stripe