CID 15433850

3,5-di-tert-butyl-2,6-dihydroxybenzoic acid

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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.