CID 145867126

2163825-03-2

Structural Information

Molecular Formula

C₁₀H₁₆BrNO₂

SMILES

CC(C)(C)OC(=O)N1CC/C(=C\Br)/C1

InChI

InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h6H,4-5,7H2,1-3H3/b8-6+

InChIKey

DHOJAUUXUKMNON-SOFGYWHQSA-N

Compound name

tert-butyl (3E)-3-(bromomethylidene)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 261.03644 Da
Monoisotopic Mass: 1.8
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]+	262.043716	156.2
[M+Na]+	284.025658	166.4
[M-H]-	260.029164	160.9
[M+NH4]+	279.070263	177.4
[M+K]+	299.999598	156.3
[M+H-H2O]+	244.033700	156.4
[M+HCOO]-	306.034641	173.1
[M+CH3COO]-	320.050291	189.7
[M+Na-2H]-	282.011106	159.5
[M]+	261.03589142	173.8
[M]-	261.03698858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe