CID 131802500

Dg(a-17:0/i-18:0/0:0)

Structural Information

Molecular Formula
C38H74O5
SMILES
CCC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C38H74O5/c1-5-35(4)29-25-21-17-13-10-11-14-18-22-26-30-37(40)42-33-36(32-39)43-38(41)31-27-23-19-15-9-7-6-8-12-16-20-24-28-34(2)3/h34-36,39H,5-33H2,1-4H3/t35?,36-/m0/s1
InChIKey
KQWGJYDAKDZDHT-UHBYFKDRSA-N
Compound name
[(2S)-1-hydroxy-3-(14-methylhexadecanoyloxy)propan-2-yl] 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.55365 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.56093 262.1
[M+Na]+ 633.54287 267.3
[M-H]- 609.54637 250.2
[M+NH4]+ 628.58747 267.2
[M+K]+ 649.51681 270.7
[M+H-H2O]+ 593.55091 263.2
[M+HCOO]- 655.55185 258.3
[M+CH3COO]- 669.56750 267.9
[M+Na-2H]- 631.52832 246.1
[M]+ 610.55310 261.9
[M]- 610.55420 261.9
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.