CID 54177125

4-(4-hydroxyphenyl)-2-oxobutanoate

Structural Information

Molecular Formula
C10H10O4
SMILES
C1=CC(=CC=C1CCC(=O)C(=O)O)O
InChI
InChI=1S/C10H10O4/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,11H,3,6H2,(H,13,14)
InChIKey
OZEGCCCPLQVTEE-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)-2-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

194.0579 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 139.3
[M+Na]+ 217.047118 146.2
[M-H]- 193.050624 140.4
[M+NH4]+ 212.091723 157.2
[M+K]+ 233.021058 144.2
[M+H-H2O]+ 177.055160 133.9
[M+HCOO]- 239.056101 159.9
[M+CH3COO]- 253.071751 178.5
[M+Na-2H]- 215.032566 142.9
[M]+ 194.05735142 139.3
[M]- 194.05844858 139.3
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