CID 57850108

Tert-butyl 3-(2-bromoethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H20BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CCBr
InChI
InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-8H2,1-3H3
InChIKey
SEFXLCQXQDYFPR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

277.06775 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07503 162.2
[M+Na]+ 300.05697 171.7
[M-H]- 276.06047 166.6
[M+NH4]+ 295.10157 182.8
[M+K]+ 316.03091 161.9
[M+H-H2O]+ 260.06501 162.2
[M+HCOO]- 322.06595 178.6
[M+CH3COO]- 336.08160 194.0
[M+Na-2H]- 298.04242 164.9
[M]+ 277.06720 180.9
[M]- 277.06830 180.9
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