CID 328883

71067-09-9

Structural Information

Molecular Formula
C23H38O3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-23(25)21-16-18-22(24)19-17-21/h16-19,24H,2-15,20H2,1H3
InChIKey
SJNCMISSTSMUFF-UHFFFAOYSA-N
Compound name
hexadecyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

486
Patents

362.2821 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28938 197.0
[M+Na]+ 385.27132 198.8
[M-H]- 361.27482 196.8
[M+NH4]+ 380.31592 208.9
[M+K]+ 401.24526 194.0
[M+H-H2O]+ 345.27936 188.6
[M+HCOO]- 407.28030 215.1
[M+CH3COO]- 421.29595 217.1
[M+Na-2H]- 383.25677 195.1
[M]+ 362.28155 203.3
[M]- 362.28265 203.3
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