CID 14275365

Dg(15:0/18:0/0:0)

Structural Information

Molecular Formula
C36H70O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1
InChIKey
LEZKFBVFTOZLID-UMSFTDKQSA-N
Compound name
[(2S)-1-hydroxy-3-pentadecanoyloxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

582.52234 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.52962 256.7
[M+Na]+ 605.51156 261.2
[M-H]- 581.51506 242.4
[M+NH4]+ 600.55616 258.6
[M+K]+ 621.48550 262.7
[M+H-H2O]+ 565.51960 256.8
[M+HCOO]- 627.52054 258.4
[M+CH3COO]- 641.53619 261.1
[M+Na-2H]- 603.49701 240.2
[M]+ 582.52179 256.2
[M]- 582.52289 256.2
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.