CID 481676

2-(4-hydroxyphenyl)ethyl tricosanoate

Structural Information

Molecular Formula
C31H54O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O
InChI
InChI=1S/C31H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(33)34-28-27-29-23-25-30(32)26-24-29/h23-26,32H,2-22,27-28H2,1H3
InChIKey
IRQWVQONQXVHQI-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)ethyl tricosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.4073 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.41458 232.0
[M+Na]+ 497.39652 230.2
[M-H]- 473.40002 230.0
[M+NH4]+ 492.44112 239.1
[M+K]+ 513.37046 223.5
[M+H-H2O]+ 457.40456 222.0
[M+HCOO]- 519.40550 247.3
[M+CH3COO]- 533.42115 240.4
[M+Na-2H]- 495.38197 225.9
[M]+ 474.40675 241.1
[M]- 474.40785 241.1
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.