CID 10867948

S-cucujolide iii

Structural Information

Molecular Formula
C14H24O2
SMILES
C[C@H]1CCCCCC/C=C\CCCC(=O)O1
InChI
InChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h4,6,13H,2-3,5,7-12H2,1H3/b6-4-/t13-/m0/s1
InChIKey
UNYFVMZKRMXDRF-AGLBCWCQSA-N
Compound name
(6Z,14S)-14-methyl-1-oxacyclotetradec-6-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 151.3
[M+Na]+ 247.16685 154.2
[M-H]- 223.17035 152.8
[M+NH4]+ 242.21145 165.1
[M+K]+ 263.14079 154.5
[M+H-H2O]+ 207.17489 148.6
[M+HCOO]- 269.17583 167.5
[M+CH3COO]- 283.19148 181.5
[M+Na-2H]- 245.15230 153.5
[M]+ 224.17708 142.6
[M]- 224.17818 142.6
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.