CID 131802111

Dg(10:0/i-12:0/0:0)

Structural Information

Molecular Formula
C25H48O5
SMILES
CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C25H48O5/c1-4-5-6-7-8-12-15-18-24(27)29-21-23(20-26)30-25(28)19-16-13-10-9-11-14-17-22(2)3/h22-23,26H,4-21H2,1-3H3/t23-/m0/s1
InChIKey
MFJOYMWVCYCILY-QHCPKHFHSA-N
Compound name
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

428.3502 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.357476 217.0
[M+Na]+ 451.339418 224.0
[M-H]- 427.342924 208.6
[M+NH4]+ 446.384023 220.9
[M+K]+ 467.313358 214.6
[M+H-H2O]+ 411.347460 210.8
[M+HCOO]- 473.348401 220.8
[M+CH3COO]- 487.364051 230.9
[M+Na-2H]- 449.324866 210.5
[M]+ 428.34965142 217.4
[M]- 428.35074858 217.4
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.