CID 85315312

Reticulatamone

Structural Information

Molecular Formula
C35H64O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC1=CC(OC1=O)C
InChI
InChI=1S/C35H64O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-34(36)30-27-24-21-18-15-14-16-19-22-25-28-33-31-32(2)38-35(33)37/h31-32H,3-30H2,1-2H3
InChIKey
FGTIZDFKHUXJQK-UHFFFAOYSA-N
Compound name
2-methyl-4-(13-oxotriacontyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.48553 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.49281 252.4
[M+Na]+ 555.47475 249.6
[M-H]- 531.47825 251.6
[M+NH4]+ 550.51935 245.3
[M+K]+ 571.44869 243.2
[M+H-H2O]+ 515.48279 242.8
[M+HCOO]- 577.48373 260.5
[M+CH3COO]- 591.49938 255.8
[M+Na-2H]- 553.46020 242.0
[M]+ 532.48498 264.5
[M]- 532.48608 264.5
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.