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

8
Patents

194.0579 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 139.3
[M+Na]+ 217.04712 146.2
[M-H]- 193.05062 140.4
[M+NH4]+ 212.09172 157.2
[M+K]+ 233.02106 144.2
[M+H-H2O]+ 177.05516 133.9
[M+HCOO]- 239.05610 159.9
[M+CH3COO]- 253.07175 178.5
[M+Na-2H]- 215.03257 142.9
[M]+ 194.05735 139.3
[M]- 194.05845 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