CID 86583388

(4r)-3,4-dihydro-4-hydroxyphenylpyruvate

Structural Information

Molecular Formula
C9H10O4
SMILES
C1C=C(C=C[C@@H]1O)CC(=O)C(=O)O
InChI
InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-3,7,10H,4-5H2,(H,12,13)/t7-/m0/s1
InChIKey
HDHFXEPVMQZSFA-ZETCQYMHSA-N
Compound name
3-[(4R)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

182.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 137.5
[M+Na]+ 205.04712 147.3
[M+NH4]+ 200.09172 143.8
[M+K]+ 221.02106 143.8
[M-H]- 181.05062 136.7
[M+Na-2H]- 203.03257 141.1
[M]+ 182.05735 138.2
[M]- 182.05845 138.2
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

No patent data available for this compound.