CID 52921776

18,24-dimethylhexacosanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.39673 Da
Monoisotopic Mass

12.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.