CID 6918219

Bf-388

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2CCCC2=O
InChI
InChI=1S/C18H27NO2/c1-17(2,3)13-10-12(19-9-7-8-15(19)20)11-14(16(13)21)18(4,5)6/h10-11,21H,7-9H2,1-6H3
InChIKey
OWJSEESROFTAQV-UHFFFAOYSA-N
Compound name
1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

289.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.211476 171.2
[M+Na]+ 312.193418 178.4
[M-H]- 288.196924 175.6
[M+NH4]+ 307.238023 187.6
[M+K]+ 328.167358 174.9
[M+H-H2O]+ 272.201460 165.5
[M+HCOO]- 334.202401 186.8
[M+CH3COO]- 348.218051 202.2
[M+Na-2H]- 310.178866 171.7
[M]+ 289.20365142 171.0
[M]- 289.20474858 171.0
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

patents stripe