CID 121215450

Tert-butyl 3-bromo-2-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H14BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1=O)Br
InChI
InChI=1S/C9H14BrNO3/c1-9(2,3)14-8(13)11-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3
InChIKey
KYXFVRONPLZWTK-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-2-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

263.01572 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02300 152.6
[M+Na]+ 286.00494 163.9
[M-H]- 262.00844 157.7
[M+NH4]+ 281.04954 173.9
[M+K]+ 301.97888 154.4
[M+H-H2O]+ 246.01298 153.1
[M+HCOO]- 308.01392 170.0
[M+CH3COO]- 322.02957 190.5
[M+Na-2H]- 283.99039 156.1
[M]+ 263.01517 171.6
[M]- 263.01627 171.6
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