CID 131802276

Dg(i-14:0/a-13:0/0:0)

Structural Information

Molecular Formula
C30H58O5
SMILES
CCC(C)CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC(C)C
InChI
InChI=1S/C30H58O5/c1-5-27(4)21-17-13-10-11-15-19-23-30(33)35-28(24-31)25-34-29(32)22-18-14-9-7-6-8-12-16-20-26(2)3/h26-28,31H,5-25H2,1-4H3/t27?,28-/m0/s1
InChIKey
NWJFUCWEMDOSKE-CPRJBALCSA-N
Compound name
[(2S)-3-hydroxy-2-(10-methyldodecanoyloxy)propyl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.42844 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.43572 240.2
[M+Na]+ 521.41766 241.0
[M+NH4]+ 516.46226 242.8
[M+K]+ 537.39160 239.8
[M-H]- 497.42116 229.8
[M+Na-2H]- 519.40311 241.4
[M]+ 498.42789 237.4
[M]- 498.42899 237.4
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.