CID 6444274

Appenolide c

Structural Information

Molecular Formula
C14H22O3
SMILES
CCC(CCCC/C=C/C1=C(C(=O)OC1)C)O
InChI
InChI=1S/C14H22O3/c1-3-13(15)9-7-5-4-6-8-12-10-17-14(16)11(12)2/h6,8,13,15H,3-5,7,9-10H2,1-2H3/b8-6+
InChIKey
KUWMUXMJJXXEDL-SOFGYWHQSA-N
Compound name
3-[(E)-7-hydroxynon-1-enyl]-4-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.15689 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16417 158.6
[M+Na]+ 261.14611 164.6
[M-H]- 237.14961 160.9
[M+NH4]+ 256.19071 176.4
[M+K]+ 277.12005 162.5
[M+H-H2O]+ 221.15415 153.2
[M+HCOO]- 283.15509 178.4
[M+CH3COO]- 297.17074 191.0
[M+Na-2H]- 259.13156 158.9
[M]+ 238.15634 161.3
[M]- 238.15744 161.3
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.