CID 131802406

Dg(i-16:0/a-13:0/0:0)

Structural Information

Molecular Formula
C32H62O5
SMILES
CCC(C)CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC(C)C
InChI
InChI=1S/C32H62O5/c1-5-29(4)23-19-15-12-13-17-21-25-32(35)37-30(26-33)27-36-31(34)24-20-16-11-9-7-6-8-10-14-18-22-28(2)3/h28-30,33H,5-27H2,1-4H3/t29?,30-/m0/s1
InChIKey
BQSIPXBYMZRYCH-ZSXSBBPPSA-N
Compound name
[(2S)-3-hydroxy-2-(10-methyldodecanoyloxy)propyl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.4597 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.46698 247.1
[M+Na]+ 549.44892 247.8
[M+NH4]+ 544.49352 249.6
[M+K]+ 565.42286 246.9
[M-H]- 525.45242 236.0
[M+Na-2H]- 547.43437 247.7
[M]+ 526.45915 244.2
[M]- 526.46025 244.2
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.