CID 3022295

93777-21-0

Structural Information

Molecular Formula
C24H36O5
SMILES
CCCCCCCCCCCCOC(=O)COC1=CC=C(C=C1)C(=O)CC(=O)C
InChI
InChI=1S/C24H36O5/c1-3-4-5-6-7-8-9-10-11-12-17-28-24(27)19-29-22-15-13-21(14-16-22)23(26)18-20(2)25/h13-16H,3-12,17-19H2,1-2H3
InChIKey
AKATWDMRLRLIRX-UHFFFAOYSA-N
Compound name
dodecyl 2-[4-(3-oxobutanoyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.2563 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26358 204.4
[M+Na]+ 427.24552 206.0
[M-H]- 403.24902 205.6
[M+NH4]+ 422.29012 214.8
[M+K]+ 443.21946 203.0
[M+H-H2O]+ 387.25356 195.6
[M+HCOO]- 449.25450 222.5
[M+CH3COO]- 463.27015 226.5
[M+Na-2H]- 425.23097 200.4
[M]+ 404.25575 213.2
[M]- 404.25685 213.2
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

No patent data available for this compound.