CID 94623

67845-93-6

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13281
Patents

474.4073 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.41458 229.3
[M+Na]+ 497.39652 237.0
[M+NH4]+ 492.44112 232.9
[M+K]+ 513.37046 229.5
[M-H]- 473.40002 228.2
[M+Na-2H]- 495.38197 229.3
[M]+ 474.40675 230.1
[M]- 474.40785 230.1
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