CID 57339230

Tetrahydro-4-hydroxyphenylpyruvate

Structural Information

Molecular Formula
C9H12O4
SMILES
C1CC(C=CC1CC(=O)C(=O)O)O
InChI
InChI=1S/C9H12O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,6-7,10H,2,4-5H2,(H,12,13)
InChIKey
ABMPOYCAXJZJJB-UHFFFAOYSA-N
Compound name
3-(4-hydroxycyclohex-2-en-1-yl)-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 138.1
[M+Na]+ 207.06278 143.4
[M-H]- 183.06628 138.6
[M+NH4]+ 202.10738 156.2
[M+K]+ 223.03672 142.0
[M+H-H2O]+ 167.07082 132.9
[M+HCOO]- 229.07176 156.0
[M+CH3COO]- 243.08741 176.2
[M+Na-2H]- 205.04823 140.2
[M]+ 184.07301 134.9
[M]- 184.07411 134.9
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.