CID 6435920

Japonilure

Structural Information

Molecular Formula
C14H24O2
SMILES
CCCCCCCC/C=C\[C@H]1CCC(=O)O1
InChI
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h9-10,13H,2-8,11-12H2,1H3/b10-9-/t13-/m0/s1
InChIKey
QTGIYXFCSKXKMO-XPSMFNQNSA-N
Compound name
(5R)-5-[(Z)-dec-1-enyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

5973
Patents

224.17763 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 156.9
[M+Na]+ 247.16685 161.7
[M-H]- 223.17035 159.7
[M+NH4]+ 242.21145 175.7
[M+K]+ 263.14079 159.8
[M+H-H2O]+ 207.17489 151.1
[M+HCOO]- 269.17583 177.5
[M+CH3COO]- 283.19148 190.0
[M+Na-2H]- 245.15230 158.5
[M]+ 224.17708 158.8
[M]- 224.17818 158.8
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