CID 23282617

3-(4-formyl-2-methoxyphenoxy)propanoic acid

Structural Information

Molecular Formula
C11H12O5
SMILES
COC1=C(C=CC(=C1)C=O)OCCC(=O)O
InChI
InChI=1S/C11H12O5/c1-15-10-6-8(7-12)2-3-9(10)16-5-4-11(13)14/h2-3,6-7H,4-5H2,1H3,(H,13,14)
InChIKey
PAYYJGQYTHBJMH-UHFFFAOYSA-N
Compound name
3-(4-formyl-2-methoxyphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

224.06847 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 147.0
[M+Na]+ 247.05769 158.1
[M+NH4]+ 242.10229 153.0
[M+K]+ 263.03163 153.6
[M-H]- 223.06119 146.6
[M+Na-2H]- 245.04314 151.3
[M]+ 224.06792 148.2
[M]- 224.06902 148.2
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