CID 45489892

1020329-80-9

Structural Information

Molecular Formula

C₁₁H₁₈BrNO₂

SMILES

CC(C)(C)OC(=O)N1CCC(=CBr)CC1

InChI

InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h8H,4-7H2,1-3H3

InChIKey

IYVCMYUDZHFNJM-UHFFFAOYSA-N

Compound name

tert-butyl 4-(bromomethylidene)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 275.0521 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]+	276.05938	155.3
[M+Na]+	298.04132	155.7
[M+NH4]+	293.08592	158.6
[M+K]+	314.01526	156.9
[M-H]-	274.04482	153.6
[M+Na-2H]-	296.02677	155.6
[M]+	275.05155	153.5
[M]-	275.05265	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe