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

1
Patents

219.02588 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.033156 144.3
[M+Na]+ 242.015098 156.1
[M-H]- 218.018604 149.5
[M+NH4]+ 237.059703 167.4
[M+K]+ 257.989038 146.1
[M+H-H2O]+ 202.023140 145.1
[M+HCOO]- 264.024081 162.3
[M+CH3COO]- 278.039731 185.3
[M+Na-2H]- 240.000546 149.1
[M]+ 219.02533142 161.7
[M]- 219.02642858 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

patents stripe