CID 63787867

3-bromo-1-tert-butylpyrrolidin-2-one

Structural Information

Molecular Formula
C8H14BrNO
SMILES
CC(C)(C)N1CCC(C1=O)Br
InChI
InChI=1S/C8H14BrNO/c1-8(2,3)10-5-4-6(9)7(10)11/h6H,4-5H2,1-3H3
InChIKey
SIGBSXRCJMDTJW-UHFFFAOYSA-N
Compound name
3-bromo-1-tert-butylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02588 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03316 146.6
[M+Na]+ 242.01510 147.4
[M+NH4]+ 237.05970 150.8
[M+K]+ 257.98904 149.8
[M-H]- 218.01860 145.2
[M+Na-2H]- 240.00055 146.9
[M]+ 219.02533 145.0
[M]- 219.02643 145.0
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

No patent data available for this compound.