CID 66597

4-tert-butylphenyl salicylate

Structural Information

Molecular Formula
C17H18O3
SMILES
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3
InChIKey
DBOSBRHMHBENLP-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl) 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

18417
Patents

270.12558 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 163.1
[M+Na]+ 293.11480 176.7
[M+NH4]+ 288.15940 170.6
[M+K]+ 309.08874 170.5
[M-H]- 269.11830 166.2
[M+Na-2H]- 291.10025 171.2
[M]+ 270.12503 166.0
[M]- 270.12613 166.0
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