CID 131802646

Dg(i-20:0/i-12:0/0:0)

Structural Information

Molecular Formula
C35H68O5
SMILES
CC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C35H68O5/c1-31(2)25-21-17-13-11-9-7-5-6-8-10-12-14-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-15-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m0/s1
InChIKey
KRQMATMONQTCKW-XIFFEERXSA-N
Compound name
[(2S)-3-hydroxy-2-(10-methylundecanoyloxy)propyl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

568.50665 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.513926 251.9
[M+Na]+ 591.495868 257.6
[M-H]- 567.499374 241.1
[M+NH4]+ 586.540473 257.0
[M+K]+ 607.469808 259.8
[M+H-H2O]+ 551.503910 253.3
[M+HCOO]- 613.504851 249.3
[M+CH3COO]- 627.520501 259.8
[M+Na-2H]- 589.481316 237.2
[M]+ 568.50610142 251.7
[M]- 568.50719858 251.7
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.