CID 43906999

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

Structural Information

Molecular Formula
C11H12O5
SMILES
CC(C(=O)O)OC1=CC=CC(=C1OC)C=O
InChI
InChI=1S/C11H12O5/c1-7(11(13)14)16-9-5-3-4-8(6-12)10(9)15-2/h3-7H,1-2H3,(H,13,14)
InChIKey
QRHXGIAENDCKTG-UHFFFAOYSA-N
Compound name
2-(3-formyl-2-methoxyphenoxy)propanoic 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]+ 225.07575 145.0
[M+Na]+ 247.05769 152.7
[M-H]- 223.06119 147.7
[M+NH4]+ 242.10229 162.6
[M+K]+ 263.03163 152.0
[M+H-H2O]+ 207.06573 139.1
[M+HCOO]- 269.06667 166.9
[M+CH3COO]- 283.08232 187.4
[M+Na-2H]- 245.04314 148.0
[M]+ 224.06792 149.1
[M]- 224.06902 149.2
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