CID 131802348

Dg(i-15:0/i-15:0/0:0)

Structural Information

Molecular Formula
C33H64O5
SMILES
CC(C)CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C33H64O5/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-32(35)37-28-31(27-34)38-33(36)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-31,34H,5-28H2,1-4H3/t31-/m0/s1
InChIKey
TXCJMTDMELCRKG-HKBQPEDESA-N
Compound name
[(2S)-3-hydroxy-2-(13-methyltetradecanoyloxy)propyl] 13-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.4754 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.48268 250.5
[M+Na]+ 563.46462 251.1
[M+NH4]+ 558.50922 253.0
[M+K]+ 579.43856 250.4
[M-H]- 539.46812 239.1
[M+Na-2H]- 561.45007 250.8
[M]+ 540.47485 247.6
[M]- 540.47595 247.6
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.