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

2
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

patents stripe