CID 88208

19715-19-6

Structural Information

Molecular Formula

C₁₅H₂₂O₃

SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(=O)O

InChI

InChI=1S/C15H22O3/c1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)

InChIKey

ZWQBZEFLFSFEOS-UHFFFAOYSA-N

Compound name

3,5-ditert-butyl-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 8191
Patents: 250.15689 Da
Monoisotopic Mass: 6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.16417	159.7
[M+Na]+	273.14611	170.2
[M+NH4]+	268.19071	165.7
[M+K]+	289.12005	166.7
[M-H]-	249.14961	158.8
[M+Na-2H]-	271.13156	163.1
[M]+	250.15634	160.9
[M]-	250.15744	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe