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]+ 185.080836 138.1
[M+Na]+ 207.062778 143.4
[M-H]- 183.066284 138.6
[M+NH4]+ 202.107383 156.2
[M+K]+ 223.036718 142.0
[M+H-H2O]+ 167.070820 132.9
[M+HCOO]- 229.071761 156.0
[M+CH3COO]- 243.087411 176.2
[M+Na-2H]- 205.048226 140.2
[M]+ 184.07301142 134.9
[M]- 184.07410858 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.