CID 66800608

Tert-butyl 4-(3-bromo-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H23BrN2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(C2=O)Br
InChI
InChI=1S/C14H23BrN2O3/c1-14(2,3)20-13(19)16-7-4-10(5-8-16)17-9-6-11(15)12(17)18/h10-11H,4-9H2,1-3H3
InChIKey
DNERPQGGMNNWSV-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-bromo-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

346.0892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09648 177.0
[M+Na]+ 369.07842 185.1
[M-H]- 345.08192 182.8
[M+NH4]+ 364.12302 193.4
[M+K]+ 385.05236 175.0
[M+H-H2O]+ 329.08646 176.1
[M+HCOO]- 391.08740 188.9
[M+CH3COO]- 405.10305 205.2
[M+Na-2H]- 367.06387 176.6
[M]+ 346.08865 192.3
[M]- 346.08975 192.4
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