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]+ 183.065176 136.3
[M+Na]+ 205.047118 142.6
[M-H]- 181.050624 137.2
[M+NH4]+ 200.091723 154.6
[M+K]+ 221.021058 141.1
[M+H-H2O]+ 165.055160 131.1
[M+HCOO]- 227.056101 155.7
[M+CH3COO]- 241.071751 175.8
[M+Na-2H]- 203.032566 139.4
[M]+ 182.05735142 134.5
[M]- 182.05844858 134.5
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.