CID 131799393

Dg(16:0/0:0/i-12:0)

Structural Information

Molecular Formula
C31H60O5
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC(C)C)O
InChI
InChI=1S/C31H60O5/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-30(33)35-26-29(32)27-36-31(34)25-22-19-16-15-17-20-23-28(2)3/h28-29,32H,4-27H2,1-3H3/t29-/m1/s1
InChIKey
HPONRQKMGUWZGX-GDLZYMKVSA-N
Compound name
[(2R)-2-hydroxy-3-(10-methylundecanoyloxy)propyl] hexadecanoate
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 243.1
[M+Na]+ 535.43332 243.9
[M+NH4]+ 530.47792 244.9
[M+K]+ 551.40726 242.8
[M-H]- 511.43682 231.2
[M+Na-2H]- 533.41877 243.7
[M]+ 512.44355 240.0
[M]- 512.44465 240.0
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.