CID 131802170

Dg(12:0/i-19:0/0:0)

Structural Information

Molecular Formula
C34H66O5
SMILES
CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C34H66O5/c1-4-5-6-7-8-14-18-21-24-27-33(36)38-30-32(29-35)39-34(37)28-25-22-19-16-13-11-9-10-12-15-17-20-23-26-31(2)3/h31-32,35H,4-30H2,1-3H3/t32-/m0/s1
InChIKey
QJPLJPKQDLVDLD-YTTGMZPUSA-N
Compound name
[(2S)-1-dodecanoyloxy-3-hydroxypropan-2-yl] 17-methyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

554.491 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.498276 249.1
[M+Na]+ 577.480218 254.5
[M-H]- 553.483724 237.2
[M+NH4]+ 572.524823 252.7
[M+K]+ 593.454158 255.8
[M+H-H2O]+ 537.488260 250.1
[M+HCOO]- 599.489201 249.3
[M+CH3COO]- 613.504851 256.3
[M+Na-2H]- 575.465666 234.2
[M]+ 554.49045142 248.9
[M]- 554.49154858 248.9
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.