CID 6448212

2-(3-(4-methoxyphenyl-1-oxo-2-propenyl)oxy)-1-methylpropyl undecanoate

Structural Information

Molecular Formula
C25H38O5
SMILES
CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-24(26)29-20(2)21(3)30-25(27)19-16-22-14-17-23(28-4)18-15-22/h14-21H,5-13H2,1-4H3/b19-16+
InChIKey
HEOGSXAZUOIHPQ-KNTRCKAVSA-N
Compound name
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxybutan-2-yl undecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2719 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.27918 209.4
[M+Na]+ 441.26112 210.6
[M-H]- 417.26462 210.6
[M+NH4]+ 436.30572 219.3
[M+K]+ 457.23506 207.9
[M+H-H2O]+ 401.26916 200.7
[M+HCOO]- 463.27010 226.2
[M+CH3COO]- 477.28575 229.0
[M+Na-2H]- 439.24657 203.7
[M]+ 418.27135 217.8
[M]- 418.27245 217.8
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.