CID 137952216

Tert-butyl 4-bromo-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H18BrNO3
SMILES
CC1(C(=O)C(CN1C(=O)OC(C)(C)C)Br)C
InChI
InChI=1S/C11H18BrNO3/c1-10(2,3)16-9(15)13-6-7(12)8(14)11(13,4)5/h7H,6H2,1-5H3
InChIKey
VLVXCJCGRMMFTC-UHFFFAOYSA-N
Compound name
tert-butyl 4-bromo-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.047 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05428 156.4
[M+Na]+ 314.03622 168.6
[M-H]- 290.03972 161.9
[M+NH4]+ 309.08082 178.9
[M+K]+ 330.01016 159.0
[M+H-H2O]+ 274.04426 158.3
[M+HCOO]- 336.04520 173.3
[M+CH3COO]- 350.06085 196.9
[M+Na-2H]- 312.02167 160.1
[M]+ 291.04645 177.0
[M]- 291.04755 177.0
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.