CID 6433948

Tetrenolin

Structural Information

Molecular Formula
C11H12O4
SMILES
C\1=C(C(=O)O/C1=C/C=C/CO)/C=C/CO
InChI
InChI=1S/C11H12O4/c12-6-2-1-5-10-8-9(4-3-7-13)11(14)15-10/h1-5,8,12-13H,6-7H2/b2-1+,4-3+,10-5+
InChIKey
ZYNGLDJNLYFSIV-ALNAOYBLSA-N
Compound name
(5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

208.07356 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 147.5
[M+Na]+ 231.06278 156.4
[M+NH4]+ 226.10738 152.7
[M+K]+ 247.03672 153.3
[M-H]- 207.06628 146.9
[M+Na-2H]- 229.04823 148.3
[M]+ 208.07301 148.0
[M]- 208.07411 148.0
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.