CID 71629627

Tert-butyl 4-bromo-4-methylpiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₂

SMILES

CC1(CCN(CC1)C(=O)OC(C)(C)C)Br

InChI

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

InChIKey

CUQSGHQYNWLZIT-UHFFFAOYSA-N

Compound name

tert-butyl 4-bromo-4-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 277.06775 Da
Monoisotopic Mass: 2.6
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	156.3
[M+Na]+	300.056968	165.5
[M-H]-	276.060474	160.7
[M+NH4]+	295.101573	177.0
[M+K]+	316.030908	156.1
[M+H-H2O]+	260.065010	157.3
[M+HCOO]-	322.065951	170.7
[M+CH3COO]-	336.081601	193.9
[M+Na-2H]-	298.042416	161.8
[M]+	277.06720142	173.6
[M]-	277.06829858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe