CID 131802119

Dg(10:0/i-16:0/0:0)

Structural Information

Molecular Formula
C29H56O5
SMILES
CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC(C)C
InChI
InChI=1S/C29H56O5/c1-4-5-6-7-12-16-19-22-28(31)33-25-27(24-30)34-29(32)23-20-17-14-11-9-8-10-13-15-18-21-26(2)3/h26-27,30H,4-25H2,1-3H3/t27-/m0/s1
InChIKey
QQOACUUEZUCKEK-MHZLTWQESA-N
Compound name
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

484.41278 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.420056 231.5
[M+Na]+ 507.401998 237.7
[M-H]- 483.405504 221.5
[M+NH4]+ 502.446603 235.2
[M+K]+ 523.375938 237.0
[M+H-H2O]+ 467.410040 233.0
[M+HCOO]- 529.410981 233.7
[M+CH3COO]- 543.426631 242.3
[M+Na-2H]- 505.387446 218.8
[M]+ 484.41223142 231.5
[M]- 484.41332858 231.5
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.