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

305
Patents

408.39673 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.40401 217.2
[M+Na]+ 431.38595 216.1
[M-H]- 407.38945 213.5
[M+NH4]+ 426.43055 218.1
[M+K]+ 447.35989 210.5
[M+H-H2O]+ 391.39399 208.8
[M+HCOO]- 453.39493 230.4
[M+CH3COO]- 467.41058 232.2
[M+Na-2H]- 429.37140 211.9
[M]+ 408.39618 227.2
[M]- 408.39728 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