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
2
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]+ 399.38328 214.7
[M+Na]+ 421.36522 212.7
[M-H]- 397.36872 208.6
[M+NH4]+ 416.40982 212.2
[M+K]+ 437.33916 208.1
[M+H-H2O]+ 381.37326 207.1
[M+HCOO]- 443.37420 217.4
[M+CH3COO]- 457.38985 225.9
[M+Na-2H]- 419.35067 206.9
[M]+ 398.37545 221.0
[M]- 398.37655 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.