CID 70146963

Tert-butyl 2-(3-bromo-2-oxopyrrolidin-1-yl)acetate

Structural Information

Molecular Formula
C10H16BrNO3
SMILES
CC(C)(C)OC(=O)CN1CCC(C1=O)Br
InChI
InChI=1S/C10H16BrNO3/c1-10(2,3)15-8(13)6-12-5-4-7(11)9(12)14/h7H,4-6H2,1-3H3
InChIKey
CCEDMIFCTNAVOT-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-bromo-2-oxopyrrolidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

277.03137 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03865 157.1
[M+Na]+ 300.02059 167.8
[M-H]- 276.02409 162.0
[M+NH4]+ 295.06519 177.7
[M+K]+ 315.99453 158.1
[M+H-H2O]+ 260.02863 157.4
[M+HCOO]- 322.02957 174.1
[M+CH3COO]- 336.04522 194.0
[M+Na-2H]- 298.00604 160.0
[M]+ 277.03082 176.5
[M]- 277.03192 176.5
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