CID 3022294

2-(4-(1,3-dioxobutyl)phenoxy)ethyl undecanoate

Structural Information

Molecular Formula
C23H34O5
SMILES
CCCCCCCCCCC(=O)OCCOC1=CC=C(C=C1)C(=O)CC(=O)C
InChI
InChI=1S/C23H34O5/c1-3-4-5-6-7-8-9-10-11-23(26)28-17-16-27-21-14-12-20(13-15-21)22(25)18-19(2)24/h12-15H,3-11,16-18H2,1-2H3
InChIKey
GZUFZHNCCSFMSZ-UHFFFAOYSA-N
Compound name
2-[4-(3-oxobutanoyl)phenoxy]ethyl undecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.24063 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.247906 199.8
[M+Na]+ 413.229848 201.9
[M-H]- 389.233354 201.3
[M+NH4]+ 408.274453 210.8
[M+K]+ 429.203788 199.1
[M+H-H2O]+ 373.237890 191.3
[M+HCOO]- 435.238831 218.3
[M+CH3COO]- 449.254481 223.6
[M+Na-2H]- 411.215296 196.3
[M]+ 390.24008142 208.3
[M]- 390.24117858 208.3
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

No patent data available for this compound.