CID 130068024

1374653-11-8

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₂

SMILES

CC1CC(CN1C(=O)OC(C)(C)C)CBr

InChI

InChI=1S/C11H20BrNO2/c1-8-5-9(6-12)7-13(8)10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3

InChIKey

MTLMMRXZIDTIAX-UHFFFAOYSA-N

Compound name

tert-butyl 4-(bromomethyl)-2-methylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 277.06775 Da
Monoisotopic Mass: 2.7
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]+	278.07503	161.2
[M+Na]+	300.05697	171.5
[M-H]-	276.06047	166.0
[M+NH4]+	295.10157	182.1
[M+K]+	316.03091	161.6
[M+H-H2O]+	260.06501	161.4
[M+HCOO]-	322.06595	177.5
[M+CH3COO]-	336.08160	195.1
[M+Na-2H]-	298.04242	163.3
[M]+	277.06720	180.1
[M]-	277.06830	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe