CID 131802128

Dg(10:0/i-20:0/0:0)

Structural Information

Molecular Formula
C33H64O5
SMILES
CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C33H64O5/c1-4-5-6-7-16-20-23-26-32(35)37-29-31(28-34)38-33(36)27-24-21-18-15-13-11-9-8-10-12-14-17-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1
InChIKey
OVEQIKIMYBKAST-HKBQPEDESA-N
Compound name
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

540.4754 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.482676 245.7
[M+Na]+ 563.464618 251.2
[M-H]- 539.468124 234.1
[M+NH4]+ 558.509223 249.3
[M+K]+ 579.438558 252.1
[M+H-H2O]+ 523.472660 246.7
[M+HCOO]- 585.473601 246.2
[M+CH3COO]- 599.489251 253.5
[M+Na-2H]- 561.450066 231.1
[M]+ 540.47485142 245.4
[M]- 540.47594858 245.4
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.