CID 3016548

Tetracosyl acrylate

Structural Information

Molecular Formula
C27H52O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
InChI
InChI=1S/C27H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27(28)4-2/h4H,2-3,5-26H2,1H3
InChIKey
NWCXWRNETRHMRW-UHFFFAOYSA-N
Compound name
tetracosyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

408.39673 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.404006 217.2
[M+Na]+ 431.385948 216.1
[M-H]- 407.389454 213.5
[M+NH4]+ 426.430553 218.1
[M+K]+ 447.359888 210.5
[M+H-H2O]+ 391.393990 208.8
[M+HCOO]- 453.394931 230.4
[M+CH3COO]- 467.410581 232.2
[M+Na-2H]- 429.371396 211.9
[M]+ 408.39618142 227.2
[M]- 408.39727858 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

No literature data available for this compound.

Patent stripe

patents stripe