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

9
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

literature stripe

Patent stripe

patents stripe