CID 22637051

338392-48-6

Structural Information

Molecular Formula

SMILES

C1CC1(CC#N)CBr

InChI

InChI=1S/C6H8BrN/c7-5-6(1-2-6)3-4-8/h1-3,5H2

InChIKey

UBRCXYVILSTTRU-UHFFFAOYSA-N

Compound name

2-[1-(bromomethyl)cyclopropyl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 172.98401 Da
Monoisotopic Mass: 1.3
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]+	173.99129	124.3
[M+Na]+	195.97323	128.6
[M+NH4]+	191.01783	128.8
[M+K]+	211.94717	125.6
[M-H]-	171.97673	124.2
[M+Na-2H]-	193.95868	129.2
[M]+	172.98346	124.2
[M]-	172.98456	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe