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
6
Annotation Hits

2
References

17809
Patents

270.12558 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.132856 162.3
[M+Na]+ 293.114798 169.5
[M-H]- 269.118304 168.1
[M+NH4]+ 288.159403 178.2
[M+K]+ 309.088738 166.3
[M+H-H2O]+ 253.122840 155.5
[M+HCOO]- 315.123781 182.5
[M+CH3COO]- 329.139431 196.0
[M+Na-2H]- 291.100246 166.6
[M]+ 270.12503142 163.8
[M]- 270.12612858 163.8
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