CID 53477974

Dg(14:1(9z)/15:0/0:0)

Structural Information

Molecular Formula
C32H60O5
SMILES
CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,30,33H,3-9,11,13-29H2,1-2H3/b12-10-/t30-/m0/s1
InChIKey
XRIOEAXABJXXOB-CCZSOTCQSA-N
Compound name
[(2S)-1-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

524.4441 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.45138 240.4
[M+Na]+ 547.43332 246.2
[M-H]- 523.43682 228.6
[M+NH4]+ 542.47792 242.8
[M+K]+ 563.40726 245.7
[M+H-H2O]+ 507.44136 241.1
[M+HCOO]- 569.44230 244.6
[M+CH3COO]- 583.45795 248.7
[M+Na-2H]- 545.41877 226.2
[M]+ 524.44355 239.9
[M]- 524.44465 239.9
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.