CID 351737

2-(4-formylphenoxy)propanoic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H10O4/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-7H,1H3,(H,12,13)
InChIKey
OIQBPASRUVCUAN-UHFFFAOYSA-N
Compound name
2-(4-formylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

194.0579 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 138.5
[M+Na]+ 217.047118 145.9
[M-H]- 193.050624 141.1
[M+NH4]+ 212.091723 157.1
[M+K]+ 233.021058 144.8
[M+H-H2O]+ 177.055160 132.8
[M+HCOO]- 239.056101 160.6
[M+CH3COO]- 253.071751 181.0
[M+Na-2H]- 215.032566 142.6
[M]+ 194.05735142 140.4
[M]- 194.05844858 140.4
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