CID 53481665

Tetracosanoylglycine

Structural Information

Molecular Formula
C26H51NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28)27-24-26(29)30/h2-24H2,1H3,(H,27,28)(H,29,30)
InChIKey
ALGJSAHUUYIAIZ-UHFFFAOYSA-N
Compound name
2-(tetracosanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.3869 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.39418 219.6
[M+Na]+ 448.37612 217.2
[M-H]- 424.37962 214.6
[M+NH4]+ 443.42072 224.6
[M+K]+ 464.35006 212.1
[M+H-H2O]+ 408.38416 210.9
[M+HCOO]- 470.38510 232.1
[M+CH3COO]- 484.40075 234.2
[M+Na-2H]- 446.36157 213.5
[M]+ 425.38635 227.2
[M]- 425.38745 227.2
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.