CID 91828268

N-hexacosanoylglycinate

Structural Information

Molecular Formula
C28H55NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C28H55NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(30)29-26-28(31)32/h2-26H2,1H3,(H,29,30)(H,31,32)
InChIKey
YIUHXZHKDQGNOC-UHFFFAOYSA-N
Compound name
2-(hexacosanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.41818 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.42546 228.0
[M+Na]+ 476.40740 240.9
[M-H]- 452.41090 221.7
[M+NH4]+ 471.45200 231.7
[M+K]+ 492.38134 219.3
[M+H-H2O]+ 436.41544 219.0
[M+HCOO]- 498.41638 238.5
[M+CH3COO]- 512.43203 240.0
[M+Na-2H]- 474.39285 220.9
[M]+ 453.41763 231.0
[M]- 453.41873 231.0
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.