CID 171118193

18,23-dimethyltetracosanoic acid

Structural Information

Molecular Formula
C26H52O2
SMILES
CC(C)CCCCC(C)CCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H52O2/c1-24(2)20-18-19-22-25(3)21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-23-26(27)28/h24-25H,4-23H2,1-3H3,(H,27,28)
InChIKey
UVSSUMZSKXGOEN-UHFFFAOYSA-N
Compound name
18,23-dimethyltetracosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.39673 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.40401 216.3
[M+Na]+ 419.38595 214.4
[M-H]- 395.38945 211.5
[M+NH4]+ 414.43055 215.7
[M+K]+ 435.35989 209.7
[M+H-H2O]+ 379.39399 208.4
[M+HCOO]- 441.39493 220.6
[M+CH3COO]- 455.41058 229.6
[M+Na-2H]- 417.37140 208.3
[M]+ 396.39618 223.4
[M]- 396.39728 223.4
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

No patent data available for this compound.