CID 15433850

Dtxsid00572737

Structural Information

Molecular Formula

C₁₅H₂₂O₄

SMILES

CC(C)(C)C1=CC(=C(C(=C1O)C(=O)O)O)C(C)(C)C

InChI

InChI=1S/C15H22O4/c1-14(2,3)8-7-9(15(4,5)6)12(17)10(11(8)16)13(18)19/h7,16-17H,1-6H3,(H,18,19)

InChIKey

FVQBNGXOHJYGMZ-UHFFFAOYSA-N

Compound name

3,5-ditert-butyl-2,6-dihydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 58
Patents: 266.1518 Da
Monoisotopic Mass: 5.2
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]+	267.15908	160.3
[M+Na]+	289.14102	168.2
[M-H]-	265.14452	160.9
[M+NH4]+	284.18562	176.0
[M+K]+	305.11496	165.8
[M+H-H2O]+	249.14906	156.3
[M+HCOO]-	311.15000	175.2
[M+CH3COO]-	325.16565	194.6
[M+Na-2H]-	287.12647	162.1
[M]+	266.15125	161.7
[M]-	266.15235	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe