CID 131839775

Methyl 15,16-dihydroxy-tetracosanoate

Structural Information

Molecular Formula
C25H50O4
SMILES
CCCCCCCCC(C(CCCCCCCCCCCCCC(=O)OC)O)O
InChI
InChI=1S/C25H50O4/c1-3-4-5-6-14-17-20-23(26)24(27)21-18-15-12-10-8-7-9-11-13-16-19-22-25(28)29-2/h23-24,26-27H,3-22H2,1-2H3
InChIKey
ANKIJNMJOZDVJY-UHFFFAOYSA-N
Compound name
methyl 15,16-dihydroxytetracosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.3709 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.37818 217.5
[M+Na]+ 437.36012 215.4
[M-H]- 413.36362 211.4
[M+NH4]+ 432.40472 215.7
[M+K]+ 453.33406 211.4
[M+H-H2O]+ 397.36816 209.6
[M+HCOO]- 459.36910 220.3
[M+CH3COO]- 473.38475 227.1
[M+Na-2H]- 435.34557 209.8
[M]+ 414.37035 225.1
[M]- 414.37145 225.1
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.