CID 49760872

1650548-73-4

Structural Information

Molecular Formula

C₁₂H₁₃BrN₂O

SMILES

C1CNCCC12C3=C(C=C(C=C3)Br)NC2=O

InChI

InChI=1S/C12H13BrN2O/c13-8-1-2-9-10(7-8)15-11(16)12(9)3-5-14-6-4-12/h1-2,7,14H,3-6H2,(H,15,16)

InChIKey

HWGIUTMXUBNHHS-UHFFFAOYSA-N

Compound name

6-bromospiro[1H-indole-3,4'-piperidine]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 280.02112 Da
Monoisotopic Mass: 1.4
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]+	281.02840	158.1
[M+Na]+	303.01034	168.7
[M-H]-	279.01384	161.9
[M+NH4]+	298.05494	178.8
[M+K]+	318.98428	155.6
[M+H-H2O]+	263.01838	158.0
[M+HCOO]-	325.01932	171.0
[M+CH3COO]-	339.03497	170.4
[M+Na-2H]-	300.99579	163.5
[M]+	280.02057	169.7
[M]-	280.02167	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe