CID 131802334

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

Structural Information

Molecular Formula
C31H60O5
SMILES
CC(C)CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCC(C)C
InChI
InChI=1S/C31H60O5/c1-27(2)21-17-13-9-6-5-7-11-15-19-23-30(33)35-26-29(25-32)36-31(34)24-20-16-12-8-10-14-18-22-28(3)4/h27-29,32H,5-26H2,1-4H3/t29-/m0/s1
InChIKey
AMYWBHIVPQVKBA-LJAQVGFWSA-N
Compound name
[(2S)-3-hydroxy-2-(11-methyldodecanoyloxy)propyl] 13-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.4441 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.45138 243.6
[M+Na]+ 535.43332 244.4
[M+NH4]+ 530.47792 246.2
[M+K]+ 551.40726 243.3
[M-H]- 511.43682 232.9
[M+Na-2H]- 533.41877 244.5
[M]+ 512.44355 240.8
[M]- 512.44465 240.8
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.