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

8
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 145.0
[M+Na]+ 247.057688 152.7
[M-H]- 223.061194 147.7
[M+NH4]+ 242.102293 162.6
[M+K]+ 263.031628 152.0
[M+H-H2O]+ 207.065730 139.1
[M+HCOO]- 269.066671 166.9
[M+CH3COO]- 283.082321 187.4
[M+Na-2H]- 245.043136 148.0
[M]+ 224.06792142 149.1
[M]- 224.06901858 149.1
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