CID 86583390

3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate

Structural Information

Molecular Formula
C9H10O4
SMILES
C1C/C(=C\C(=O)C(=O)O)/C=C[C@@H]1O
InChI
InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,5,7,10H,2,4H2,(H,12,13)/b6-5-/t7-/m0/s1
InChIKey
MPMDLNLJFJLITQ-RBSILHGTSA-N
Compound name
(3E)-3-[(4R)-4-hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

182.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 136.9
[M+Na]+ 205.047118 142.6
[M-H]- 181.050624 137.4
[M+NH4]+ 200.091723 155.0
[M+K]+ 221.021058 140.6
[M+H-H2O]+ 165.055160 131.8
[M+HCOO]- 227.056101 155.0
[M+CH3COO]- 241.071751 174.7
[M+Na-2H]- 203.032566 139.0
[M]+ 182.05735142 132.9
[M]- 182.05844858 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.