CID 53480973

Mg(0:0/24:1(15z)/0:0)

Structural Information

Molecular Formula
C27H52O4
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-26(24-28)25-29/h9-10,26,28-29H,2-8,11-25H2,1H3/b10-9-
InChIKey
HXZFYDGMORCWCA-KTKRTIGZSA-N
Compound name
1,3-dihydroxypropan-2-yl (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

440.38657 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.39385 223.7
[M+Na]+ 463.37579 227.3
[M-H]- 439.37929 208.9
[M+NH4]+ 458.42039 219.7
[M+K]+ 479.34973 215.7
[M+H-H2O]+ 423.38383 215.4
[M+HCOO]- 485.38477 228.1
[M+CH3COO]- 499.40042 230.8
[M+Na-2H]- 461.36124 216.3
[M]+ 440.38602 220.9
[M]- 440.38712 220.9
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.