CID 481670

2-(4-hydroxyphenyl)ethyl hexadecanoate

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O
InChI
InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26)27-21-20-22-16-18-23(25)19-17-22/h16-19,25H,2-15,20-21H2,1H3
InChIKey
DFQXRQNVYVMYAU-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

376.29776 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 201.4
[M+Na]+ 399.28698 202.8
[M-H]- 375.29048 201.0
[M+NH4]+ 394.33158 212.8
[M+K]+ 415.26092 197.8
[M+H-H2O]+ 359.29502 192.9
[M+HCOO]- 421.29596 219.2
[M+CH3COO]- 435.31161 220.0
[M+Na-2H]- 397.27243 199.0
[M]+ 376.29721 208.1
[M]- 376.29831 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.