CID 131802245

Dg(a-13:0/i-20:0/0:0)

Structural Information

Molecular Formula
C36H70O5
SMILES
CCC(C)CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C36H70O5/c1-5-33(4)27-23-19-16-17-20-24-28-35(38)40-31-34(30-37)41-36(39)29-25-21-15-13-11-9-7-6-8-10-12-14-18-22-26-32(2)3/h32-34,37H,5-31H2,1-4H3/t33?,34-/m0/s1
InChIKey
NUJRTPPCTDRCOT-DNKZHYAASA-N
Compound name
[(2S)-1-hydroxy-3-(10-methyldodecanoyloxy)propan-2-yl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.52234 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.52962 255.3
[M+Na]+ 605.51156 260.8
[M-H]- 581.51506 244.2
[M+NH4]+ 600.55616 260.4
[M+K]+ 621.48550 263.5
[M+H-H2O]+ 565.51960 256.6
[M+HCOO]- 627.52054 252.3
[M+CH3COO]- 641.53619 262.5
[M+Na-2H]- 603.49701 240.2
[M]+ 582.52179 255.1
[M]- 582.52289 255.1
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.