CID 481689

2-(4-methoxyphenyl)ethyl hexacosanoate

Structural Information

Molecular Formula
C35H62O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)OC
InChI
InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(36)38-32-31-33-27-29-34(37-2)30-28-33/h27-30H,3-26,31-32H2,1-2H3
InChIKey
YCSYLDHAXFMCOT-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)ethyl hexacosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

530.4699 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.47718 249.4
[M+Na]+ 553.45912 246.3
[M-H]- 529.46262 248.0
[M+NH4]+ 548.50372 254.9
[M+K]+ 569.43306 239.5
[M+H-H2O]+ 513.46716 238.3
[M+HCOO]- 575.46810 264.7
[M+CH3COO]- 589.48375 254.3
[M+Na-2H]- 551.44457 241.6
[M]+ 530.46935 261.8
[M]- 530.47045 261.8
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.