CID 53478033

Dg(16:1(9z)/14:0/0:0)

Structural Information

Molecular Formula
C33H62O5
SMILES
CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h13,15,31,34H,3-12,14,16-30H2,1-2H3/b15-13-/t31-/m0/s1
InChIKey
VZUSEPVLZLDJKD-QDPLMGLHSA-N
Compound name
[(2S)-3-hydroxy-2-tetradecanoyloxypropyl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

538.4597 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.46698 247.0
[M+Na]+ 561.44892 248.1
[M+NH4]+ 556.49352 247.8
[M+K]+ 577.42286 247.2
[M-H]- 537.45242 233.9
[M+Na-2H]- 559.43437 247.1
[M]+ 538.45915 243.5
[M]- 538.46025 243.5
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.