CID 382325

Nsc669794

Structural Information

Molecular Formula
C16H22O3
SMILES
CC(C)(C)C1=CC2=C(CC(=O)O2)C(=C1O)C(C)(C)C
InChI
InChI=1S/C16H22O3/c1-15(2,3)10-8-11-9(7-12(17)19-11)13(14(10)18)16(4,5)6/h8,18H,7H2,1-6H3
InChIKey
SEBQEJDTBLAJLO-UHFFFAOYSA-N
Compound name
4,6-ditert-butyl-5-hydroxy-3H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.1569 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 160.9
[M+Na]+ 285.14612 170.1
[M-H]- 261.14962 165.6
[M+NH4]+ 280.19072 179.9
[M+K]+ 301.12006 168.4
[M+H-H2O]+ 245.15416 157.5
[M+HCOO]- 307.15510 177.6
[M+CH3COO]- 321.17075 197.2
[M+Na-2H]- 283.13157 165.3
[M]+ 262.15635 164.4
[M]- 262.15745 164.4
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.