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]+ 391.24791 199.8
[M+Na]+ 413.22985 201.9
[M-H]- 389.23335 201.3
[M+NH4]+ 408.27445 210.8
[M+K]+ 429.20379 199.1
[M+H-H2O]+ 373.23789 191.3
[M+HCOO]- 435.23883 218.3
[M+CH3COO]- 449.25448 223.6
[M+Na-2H]- 411.21530 196.3
[M]+ 390.24008 208.3
[M]- 390.24118 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.