CID 131802557

Dg(18:0/17:0/0:0)

Structural Information

Molecular Formula
C38H74O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m0/s1
InChIKey
OLYFBPSUAJWFCO-BHVANESWSA-N
Compound name
[(2S)-2-heptadecanoyloxy-3-hydroxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.55365 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.56093 263.5
[M+Na]+ 633.54287 267.6
[M-H]- 609.54637 248.5
[M+NH4]+ 628.58747 265.4
[M+K]+ 649.51681 270.0
[M+H-H2O]+ 593.55091 263.4
[M+HCOO]- 655.55185 264.5
[M+CH3COO]- 669.56750 266.6
[M+Na-2H]- 631.52832 246.1
[M]+ 610.55310 263.0
[M]- 610.55420 263.0
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.