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

9
Patents

289.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 171.2
[M+Na]+ 312.19342 178.4
[M-H]- 288.19692 175.6
[M+NH4]+ 307.23802 187.6
[M+K]+ 328.16736 174.9
[M+H-H2O]+ 272.20146 165.5
[M+HCOO]- 334.20240 186.8
[M+CH3COO]- 348.21805 202.2
[M+Na-2H]- 310.17887 171.7
[M]+ 289.20365 171.0
[M]- 289.20475 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