CID 53478009

Dg(15:0/20:2(11z,14z)/0:0)

Structural Information

Molecular Formula
C38H70O5
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36,39H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-/m0/s1
InChIKey
MNZKISJSRMZONY-LCEPSDQBSA-N
Compound name
[(2S)-1-hydroxy-3-pentadecanoyloxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

606.52234 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.52962 258.9
[M+Na]+ 629.51156 264.2
[M-H]- 605.51506 245.5
[M+NH4]+ 624.55616 261.4
[M+K]+ 645.48550 265.7
[M+H-H2O]+ 589.51960 258.9
[M+HCOO]- 651.52054 261.6
[M+CH3COO]- 665.53619 264.1
[M+Na-2H]- 627.49701 242.6
[M]+ 606.52179 257.9
[M]- 606.52289 257.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.