CID 481687

2-(4-methoxyphenyl)ethyl tetracosanoate

Structural Information

Molecular Formula
C33H58O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)OC
InChI
InChI=1S/C33H58O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(34)36-30-29-31-25-27-32(35-2)28-26-31/h25-28H,3-24,29-30H2,1-2H3
InChIKey
AWIAYQJHHZVRSJ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)ethyl tetracosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

502.4386 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.44588 240.9
[M+Na]+ 525.42782 238.7
[M-H]- 501.43132 239.9
[M+NH4]+ 520.47242 247.6
[M+K]+ 541.40176 232.4
[M+H-H2O]+ 485.43586 230.2
[M+HCOO]- 547.43680 256.9
[M+CH3COO]- 561.45245 248.6
[M+Na-2H]- 523.41327 234.1
[M]+ 502.43805 252.6
[M]- 502.43915 252.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.