CID 73029717

Annotemoyin 1

Structural Information

Molecular Formula
C35H64O5
SMILES
CCCCCCCCCCC(C1CCC(O1)C(CCCCCCCCCCCCCCC2=CC(OC2=O)C)O)O
InChI
InChI=1S/C35H64O5/c1-3-4-5-6-7-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-11-9-8-10-12-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3
InChIKey
YWTXVAUUCWGHSO-UHFFFAOYSA-N
Compound name
4-[15-hydroxy-15-[5-(1-hydroxyundecyl)oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

564.4754 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.48268 253.8
[M+Na]+ 587.46462 256.1
[M+NH4]+ 582.50922 255.5
[M+K]+ 603.43856 252.9
[M-H]- 563.46812 255.0
[M+Na-2H]- 585.45007 247.8
[M]+ 564.47485 253.9
[M]- 564.47595 253.9
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