CID 160199

Oudenone

Structural Information

Molecular Formula
C12H16O3
SMILES
CCC[C@H]1CCC(=C2C(=O)CCC2=O)O1
InChI
InChI=1S/C12H16O3/c1-2-3-8-4-7-11(15-8)12-9(13)5-6-10(12)14/h8H,2-7H2,1H3/t8-/m0/s1
InChIKey
AFHDYMGMZUYZQT-QMMMGPOBSA-N
Compound name
2-[(5S)-5-propyloxolan-2-ylidene]cyclopentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

208.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 147.0
[M+Na]+ 231.099158 153.7
[M-H]- 207.102664 154.0
[M+NH4]+ 226.143763 168.1
[M+K]+ 247.073098 152.2
[M+H-H2O]+ 191.107200 142.4
[M+HCOO]- 253.108141 167.9
[M+CH3COO]- 267.123791 184.2
[M+Na-2H]- 229.084606 146.5
[M]+ 208.10939142 145.1
[M]- 208.11048858 145.1
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