CID 130782661

Tert-butyl 3-(bromomethyl)-3-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₂

SMILES

CC1(CCN(C1)C(=O)OC(C)(C)C)CBr

InChI

InChI=1S/C11H20BrNO2/c1-10(2,3)15-9(14)13-6-5-11(4,7-12)8-13/h5-8H2,1-4H3

InChIKey

MEYJFBPZHPIMMO-UHFFFAOYSA-N

Compound name

tert-butyl 3-(bromomethyl)-3-methylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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]+	278.075026	158.8
[M+Na]+	300.056968	169.2
[M-H]-	276.060474	163.6
[M+NH4]+	295.101573	181.4
[M+K]+	316.030908	159.6
[M+H-H2O]+	260.065010	160.1
[M+HCOO]-	322.065951	175.3
[M+CH3COO]-	336.081601	193.6
[M+Na-2H]-	298.042416	163.1
[M]+	277.06720142	178.0
[M]-	277.06829858	178.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe