CID 3068951

1-methyl-2-((1-oxoundecyl)oxy)propyl benzenepropanoate

Structural Information

Molecular Formula
C24H38O4
SMILES
CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCC1=CC=CC=C1
InChI
InChI=1S/C24H38O4/c1-4-5-6-7-8-9-10-14-17-23(25)27-20(2)21(3)28-24(26)19-18-22-15-12-11-13-16-22/h11-13,15-16,20-21H,4-10,14,17-19H2,1-3H3
InChIKey
KMVAUNKHVKIFEQ-UHFFFAOYSA-N
Compound name
3-(3-phenylpropanoyloxy)butan-2-yl undecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.277 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 201.1
[M+Na]+ 413.26622 208.7
[M+NH4]+ 408.31082 205.4
[M+K]+ 429.24016 202.4
[M-H]- 389.26972 200.4
[M+Na-2H]- 411.25167 202.5
[M]+ 390.27645 201.6
[M]- 390.27755 201.6
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.