CID 85692

2-hydroxyhexacosanoic acid

Structural Information

Molecular Formula
C26H52O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
InChIKey
IFYDZTDBJZWEPK-UHFFFAOYSA-N
Compound name
2-hydroxyhexacosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

442
Patents

412.39163 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.39891 218.1
[M+Na]+ 435.38085 215.9
[M-H]- 411.38435 211.8
[M+NH4]+ 430.42545 214.9
[M+K]+ 451.35479 210.5
[M+H-H2O]+ 395.38889 210.1
[M+HCOO]- 457.38983 223.6
[M+CH3COO]- 471.40548 228.1
[M+Na-2H]- 433.36630 211.1
[M]+ 412.39108 225.4
[M]- 412.39218 225.4
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