CID 16495682

4-(3-formylphenoxy)butanoic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
C1=CC(=CC(=C1)OCCCC(=O)O)C=O
InChI
InChI=1S/C11H12O4/c12-8-9-3-1-4-10(7-9)15-6-2-5-11(13)14/h1,3-4,7-8H,2,5-6H2,(H,13,14)
InChIKey
QHLKXVXBJDXSHQ-UHFFFAOYSA-N
Compound name
4-(3-formylphenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

208.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 144.5
[M+Na]+ 231.06278 155.8
[M+NH4]+ 226.10738 151.1
[M+K]+ 247.03672 150.4
[M-H]- 207.06628 144.6
[M+Na-2H]- 229.04823 149.5
[M]+ 208.07301 145.8
[M]- 208.07411 145.8
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