CID 5312784

15-hydroxy-pentacosanoic acid

Structural Information

Molecular Formula
C25H50O3
SMILES
CCCCCCCCCCC(CCCCCCCCCCCCCC(=O)O)O
InChI
InChI=1S/C25H50O3/c1-2-3-4-5-6-12-15-18-21-24(26)22-19-16-13-10-8-7-9-11-14-17-20-23-25(27)28/h24,26H,2-23H2,1H3,(H,27,28)
InChIKey
JIUVLHYELZYWJO-UHFFFAOYSA-N
Compound name
15-hydroxypentacosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

398.376 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.383276 213.9
[M+Na]+ 421.365218 212.0
[M-H]- 397.368724 207.7
[M+NH4]+ 416.409823 211.3
[M+K]+ 437.339158 206.9
[M+H-H2O]+ 381.373260 206.0
[M+HCOO]- 443.374201 220.4
[M+CH3COO]- 457.389851 225.2
[M+Na-2H]- 419.350666 207.3
[M]+ 398.37545142 220.8
[M]- 398.37654858 220.8
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