CID 53642708

152665-80-0

Structural Information

Molecular Formula

C₁₁H₁₈BrNO₃

SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)CBr

InChI

InChI=1S/C11H18BrNO3/c1-11(2,3)16-10(15)13-6-4-5-8(13)9(14)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1

InChIKey

AHDOQGYAXYGUQV-MRVPVSSYSA-N

Compound name

tert-butyl (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 291.047 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.054276	162.9
[M+Na]+	314.036218	172.2
[M-H]-	290.039724	167.4
[M+NH4]+	309.080823	182.7
[M+K]+	330.010158	162.7
[M+H-H2O]+	274.044260	162.9
[M+HCOO]-	336.045201	178.6
[M+CH3COO]-	350.060851	195.8
[M+Na-2H]-	312.021666	164.7
[M]+	291.04645142	181.6
[M]-	291.04754858	181.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe