CID 481679

2-(4-hydroxyphenyl)ethyl hexacosanoate

Structural Information

Molecular Formula
C34H60O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O
InChI
InChI=1S/C34H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-34(36)37-31-30-32-26-28-33(35)29-27-32/h26-29,35H,2-25,30-31H2,1H3
InChIKey
OGHNTQURJHAVEE-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)ethyl hexacosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

516.4542 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.46148 244.7
[M+Na]+ 539.44342 241.6
[M-H]- 515.44692 242.1
[M+NH4]+ 534.48802 250.0
[M+K]+ 555.41736 234.2
[M+H-H2O]+ 499.45146 234.1
[M+HCOO]- 561.45240 258.9
[M+CH3COO]- 575.46805 249.0
[M+Na-2H]- 537.42887 237.0
[M]+ 516.45365 254.9
[M]- 516.45475 254.9
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.