CID 165880854

2839143-12-1

Structural Information

Molecular Formula

SMILES

C1C2(CC1(C2)N)CBr

InChI

InChI=1S/C6H10BrN/c7-4-5-1-6(8,2-5)3-5/h1-4,8H2

InChIKey

COXJHVGIZQSXGB-UHFFFAOYSA-N

Compound name

3-(bromomethyl)bicyclo[1.1.1]pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 174.99966 Da
Monoisotopic Mass: 0.7
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]+	176.006936	131.8
[M+Na]+	197.988878	139.0
[M-H]-	173.992384	137.1
[M+NH4]+	193.033483	141.3
[M+K]+	213.962818	137.6
[M+H-H2O]+	157.996920	124.4
[M+HCOO]-	219.997861	145.0
[M+CH3COO]-	234.013511	207.6
[M+Na-2H]-	195.974326	141.5
[M]+	174.99911142	167.0
[M]-	175.00020858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe