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]+ 475.414576 232.0
[M+Na]+ 497.396518 230.2
[M-H]- 473.400024 230.0
[M+NH4]+ 492.441123 239.1
[M+K]+ 513.370458 223.5
[M+H-H2O]+ 457.404560 222.0
[M+HCOO]- 519.405501 247.3
[M+CH3COO]- 533.421151 240.4
[M+Na-2H]- 495.381966 225.9
[M]+ 474.40675142 241.1
[M]- 474.40784858 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.