CID 53394193

Ns00016936

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCCCC(C=CC1C2CC=CCCCC(=O)OC1CC2O)O
InChI
InChI=1S/C20H32O4/c1-2-3-6-9-15(21)12-13-17-16-10-7-4-5-8-11-20(23)24-19(17)14-18(16)22/h4,7,12-13,15-19,21-22H,2-3,5-6,8-11,14H2,1H3
InChIKey
KBFCVOAVUKWCPS-UHFFFAOYSA-N
Compound name
11-hydroxy-13-(3-hydroxyoct-1-enyl)-2-oxabicyclo[8.2.1]tridec-7-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 183.4
[M+Na]+ 359.219288 185.8
[M-H]- 335.222794 180.5
[M+NH4]+ 354.263893 195.3
[M+K]+ 375.193228 183.1
[M+H-H2O]+ 319.227330 181.5
[M+HCOO]- 381.228271 194.2
[M+CH3COO]- 395.243921 202.7
[M+Na-2H]- 357.204736 180.2
[M]+ 336.22952142 178.9
[M]- 336.23061858 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.