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

30
Patents

194.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 138.5
[M+Na]+ 217.04712 146.1
[M-H]- 193.05062 140.9
[M+NH4]+ 212.09172 157.1
[M+K]+ 233.02106 144.5
[M+H-H2O]+ 177.05516 132.7
[M+HCOO]- 239.05610 161.5
[M+CH3COO]- 253.07175 180.1
[M+Na-2H]- 215.03257 143.8
[M]+ 194.05735 141.0
[M]- 194.05845 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