CID 131799524

Dg(15:0/0:0/a-13:0)

Structural Information

Molecular Formula
C31H60O5
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC(C)CC)O
InChI
InChI=1S/C31H60O5/c1-4-6-7-8-9-10-11-12-13-14-18-21-24-30(33)35-26-29(32)27-36-31(34)25-22-19-16-15-17-20-23-28(3)5-2/h28-29,32H,4-27H2,1-3H3/t28?,29-/m1/s1
InChIKey
IZUILWGRQXIRFF-YPJJGMIRSA-N
Compound name
[(2R)-2-hydroxy-3-(10-methyldodecanoyloxy)propyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.4441 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.45138 238.6
[M+Na]+ 535.43332 244.5
[M-H]- 511.43682 227.9
[M+NH4]+ 530.47792 242.3
[M+K]+ 551.40726 244.6
[M+H-H2O]+ 495.44136 239.9
[M+HCOO]- 557.44230 240.0
[M+CH3COO]- 571.45795 247.9
[M+Na-2H]- 533.41877 225.0
[M]+ 512.44355 238.5
[M]- 512.44465 238.5
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.