CID 131802122

Dg(10:0/a-17:0/0:0)

Structural Information

Molecular Formula
C30H58O5
SMILES
CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C30H58O5/c1-4-6-7-8-13-17-20-23-29(32)34-26-28(25-31)35-30(33)24-21-18-15-12-10-9-11-14-16-19-22-27(3)5-2/h27-28,31H,4-26H2,1-3H3/t27?,28-/m0/s1
InChIKey
NFJTYOOTXIAZGM-CPRJBALCSA-N
Compound name
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] 14-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

498.42844 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.435716 235.1
[M+Na]+ 521.417658 241.1
[M-H]- 497.421164 224.7
[M+NH4]+ 516.462263 238.8
[M+K]+ 537.391598 240.8
[M+H-H2O]+ 481.425700 236.5
[M+HCOO]- 543.426641 236.9
[M+CH3COO]- 557.442291 245.1
[M+Na-2H]- 519.403106 221.9
[M]+ 498.42789142 235.0
[M]- 498.42898858 235.0
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.