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]+ 183.06518 136.9
[M+Na]+ 205.04712 142.6
[M-H]- 181.05062 137.4
[M+NH4]+ 200.09172 155.0
[M+K]+ 221.02106 140.6
[M+H-H2O]+ 165.05516 131.8
[M+HCOO]- 227.05610 155.0
[M+CH3COO]- 241.07175 174.7
[M+Na-2H]- 203.03257 139.0
[M]+ 182.05735 132.9
[M]- 182.05845 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.