CID 131799356

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

Structural Information

Molecular Formula
C27H52O5
SMILES
CC(C)CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(C)C)O
InChI
InChI=1S/C27H52O5/c1-23(2)17-13-9-5-7-11-15-19-26(29)31-21-25(28)22-32-27(30)20-16-12-8-6-10-14-18-24(3)4/h23-25,28H,5-22H2,1-4H3
InChIKey
QKSNVRACHQSPRR-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(10-methylundecanoyloxy)propyl] 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.38147 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.38875 229.7
[M+Na]+ 479.37069 230.8
[M+NH4]+ 474.41529 232.4
[M+K]+ 495.34463 229.0
[M-H]- 455.37419 220.3
[M+Na-2H]- 477.35614 231.9
[M]+ 456.38092 227.2
[M]- 456.38202 227.2
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.