CID 101635652

Decarestrictine f

Structural Information

Molecular Formula
C10H12O4
SMILES
C[C@@H]1C[C@H]2[C@H](O2)/C=C\C(=O)CC(=O)O1
InChI
InChI=1S/C10H12O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6,8-9H,4-5H2,1H3/b3-2-/t6-,8-,9+/m1/s1
InChIKey
MXRJZFNJVFPSQN-NQRYBKARSA-N
Compound name
(1S,3R,8Z,10R)-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-ene-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 135.7
[M+Na]+ 219.062778 146.2
[M-H]- 195.066284 140.6
[M+NH4]+ 214.107383 146.9
[M+K]+ 235.036718 147.8
[M+H-H2O]+ 179.070820 133.7
[M+HCOO]- 241.071761 154.3
[M+CH3COO]- 255.087411 183.0
[M+Na-2H]- 217.048226 142.5
[M]+ 196.07301142 138.2
[M]- 196.07410858 138.2
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.