CID 481686

2-(4-methoxyphenyl)ethyl tricosanoate

Structural Information

Molecular Formula
C32H56O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)OC
InChI
InChI=1S/C32H56O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32(33)35-29-28-30-24-26-31(34-2)27-25-30/h24-27H,3-23,28-29H2,1-2H3
InChIKey
JDGANZILCDRNEY-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)ethyl tricosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.42294 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.43022 236.6
[M+Na]+ 511.41216 234.8
[M-H]- 487.41566 235.8
[M+NH4]+ 506.45676 243.9
[M+K]+ 527.38610 228.8
[M+H-H2O]+ 471.42020 226.1
[M+HCOO]- 533.42114 253.0
[M+CH3COO]- 547.43679 245.8
[M+Na-2H]- 509.39761 230.4
[M]+ 488.42239 248.0
[M]- 488.42349 248.0
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.