CID 52921775

18-methyl-hexacosanoic acid

Structural Information

Molecular Formula
C26H52O2
SMILES
CCCCCCCCC(C)CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H52O2/c1-3-4-5-6-16-19-22-25(2)23-20-17-14-12-10-8-7-9-11-13-15-18-21-24-26(27)28/h25H,3-24H2,1-2H3,(H,27,28)
InChIKey
DCPSZJMCWACXGY-UHFFFAOYSA-N
Compound name
17-methylpentacosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.39673 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.40401 215.5
[M+Na]+ 419.38595 213.8
[M-H]- 395.38945 210.6
[M+NH4]+ 414.43055 214.8
[M+K]+ 435.35989 208.7
[M+H-H2O]+ 379.39399 207.5
[M+HCOO]- 441.39493 223.7
[M+CH3COO]- 455.41058 228.8
[M+Na-2H]- 417.37140 208.9
[M]+ 396.39618 223.3
[M]- 396.39728 223.3
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.