CID 21554299

3-(3-formylphenoxy)propanoic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
C1=CC(=CC(=C1)OCCC(=O)O)C=O
InChI
InChI=1S/C10H10O4/c11-7-8-2-1-3-9(6-8)14-5-4-10(12)13/h1-3,6-7H,4-5H2,(H,12,13)
InChIKey
VPDYHAJZJLWFRD-UHFFFAOYSA-N
Compound name
3-(3-formylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

194.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 138.5
[M+Na]+ 217.047118 146.1
[M-H]- 193.050624 140.9
[M+NH4]+ 212.091723 157.1
[M+K]+ 233.021058 144.5
[M+H-H2O]+ 177.055160 132.7
[M+HCOO]- 239.056101 161.5
[M+CH3COO]- 253.071751 180.1
[M+Na-2H]- 215.032566 143.8
[M]+ 194.05735142 141.0
[M]- 194.05844858 141.0
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