CID 5312785

26-hydroxyhexacosanoic acid

Structural Information

Molecular Formula
C26H52O3
SMILES
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCO
InChI
InChI=1S/C26H52O3/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(28)29/h27H,1-25H2,(H,28,29)
InChIKey
GGDUSUKUCOFETL-UHFFFAOYSA-N
Compound name
26-hydroxyhexacosanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

49
Patents

412.39163 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.39891 216.9
[M+Na]+ 435.38085 214.8
[M-H]- 411.38435 210.4
[M+NH4]+ 430.42545 213.9
[M+K]+ 451.35479 208.9
[M+H-H2O]+ 395.38889 208.8
[M+HCOO]- 457.38983 226.5
[M+CH3COO]- 471.40548 227.3
[M+Na-2H]- 433.36630 211.2
[M]+ 412.39108 224.9
[M]- 412.39218 224.9
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