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

40
Patents

296.23514 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.24242 177.7
[M+Na]+ 319.22436 184.3
[M+NH4]+ 314.26896 182.1
[M+K]+ 335.19830 179.1
[M-H]- 295.22786 174.7
[M+Na-2H]- 317.20981 176.6
[M]+ 296.23459 177.3
[M]- 296.23569 177.3
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