CID 49760778

1241725-63-2

Structural Information

Molecular Formula

C₁₂H₁₄BrNO₂

SMILES

C1CNCCC1(C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H14BrNO2/c13-10-3-1-9(2-4-10)12(11(15)16)5-7-14-8-6-12/h1-4,14H,5-8H2,(H,15,16)

InChIKey

NVDSELFOZXBDOZ-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 283.02078 Da
Monoisotopic Mass: -0.3
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]+	284.02806	156.7
[M+Na]+	306.01000	158.7
[M+NH4]+	301.05460	161.9
[M+K]+	321.98394	157.4
[M-H]-	282.01350	157.3
[M+Na-2H]-	303.99545	160.8
[M]+	283.02023	156.0
[M]-	283.02133	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe