CID 23427392

2-hydroxy-22-methyltetracosanoic acid

Structural Information

Molecular Formula
C25H50O3
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C25H50O3/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(26)25(27)28/h23-24,26H,3-22H2,1-2H3,(H,27,28)
InChIKey
IJYLBYZUFMZUOS-UHFFFAOYSA-N
Compound name
2-hydroxy-22-methyltetracosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.376 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.383276 214.7
[M+Na]+ 421.365218 212.7
[M-H]- 397.368724 208.6
[M+NH4]+ 416.409823 212.2
[M+K]+ 437.339158 208.1
[M+H-H2O]+ 381.373260 207.1
[M+HCOO]- 443.374201 217.4
[M+CH3COO]- 457.389851 225.9
[M+Na-2H]- 419.350666 206.9
[M]+ 398.37545142 221.0
[M]- 398.37654858 221.0
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

No patent data available for this compound.