CID 76619441

960253-23-0

Structural Information

Molecular Formula
C18H32O3
SMILES
CCCCCCCCCC(C)C=C(C(=O)C)C(=O)OCC
InChI
InChI=1S/C18H32O3/c1-5-7-8-9-10-11-12-13-15(3)14-17(16(4)19)18(20)21-6-2/h14-15H,5-13H2,1-4H3
InChIKey
WPJYXPXGZDVAIM-UHFFFAOYSA-N
Compound name
ethyl 2-acetyl-4-methyltridec-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

296.23514 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.242416 179.6
[M+Na]+ 319.224358 182.0
[M-H]- 295.227864 178.1
[M+NH4]+ 314.268963 194.9
[M+K]+ 335.198298 180.2
[M+H-H2O]+ 279.232400 173.3
[M+HCOO]- 341.233341 196.9
[M+CH3COO]- 355.248991 208.4
[M+Na-2H]- 317.209806 175.4
[M]+ 296.23459142 185.0
[M]- 296.23568858 185.0
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