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 145.3
[M+Na]+ 231.06278 153.0
[M-H]- 207.06628 146.7
[M+NH4]+ 226.10738 163.5
[M+K]+ 247.03672 149.6
[M+H-H2O]+ 191.07082 140.5
[M+HCOO]- 253.07176 166.1
[M+CH3COO]- 267.08741 177.8
[M+Na-2H]- 229.04823 148.0
[M]+ 208.07301 145.5
[M]- 208.07411 145.5
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

patents stripe