CID 137944857

1937323-27-7

Structural Information

Molecular Formula

C₁₁H₁₈BrNO₂

SMILES

CC(C)(C)OC(=O)N1CCC/C(=C\Br)/C1

InChI

InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h7H,4-6,8H2,1-3H3/b9-7+

InChIKey

OWDCTRVGDDVPQZ-VQHVLOKHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 275.0521 Da
Monoisotopic Mass: 2.1
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]+	276.059376	157.5
[M+Na]+	298.041318	166.2
[M-H]-	274.044824	161.6
[M+NH4]+	293.085923	176.3
[M+K]+	314.015258	155.9
[M+H-H2O]+	258.049360	157.4
[M+HCOO]-	320.050301	172.0
[M+CH3COO]-	334.065951	192.8
[M+Na-2H]-	296.026766	161.6
[M]+	275.05155142	173.6
[M]-	275.05264858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe