CID 131802480

Dg(a-17:0/15:0/0:0)

Structural Information

Molecular Formula
C35H68O5
SMILES
CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-17-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-16-14-13-15-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m0/s1
InChIKey
LFYHDNSVTNRXFN-OBOZPERJSA-N
Compound name
[(2S)-3-hydroxy-2-pentadecanoyloxypropyl] 14-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.50665 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.51393 252.6
[M+Na]+ 591.49587 257.8
[M-H]- 567.49937 240.3
[M+NH4]+ 586.54047 256.2
[M+K]+ 607.46981 259.5
[M+H-H2O]+ 551.50391 253.4
[M+HCOO]- 613.50485 252.4
[M+CH3COO]- 627.52050 259.0
[M+Na-2H]- 589.48132 237.2
[M]+ 568.50610 252.3
[M]- 568.50720 252.3
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.