CID 10997945

36273-11-7

Structural Information

Molecular Formula

C₇H₁₄ClN₂

SMILES

C1C[N+]2(CCN1CC2)CCl

InChI

InChI=1S/C7H14ClN2/c8-7-10-4-1-9(2-5-10)3-6-10/h1-7H2/q+1

InChIKey

XXCCIDBYUOUQSL-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-4-aza-1-azoniabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 161.08455 Da
Monoisotopic Mass: 0.6
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]+	162.09183	127.5
[M+Na]+	184.07377	141.3
[M+NH4]+	179.11837	141.7
[M+K]+	200.04771	131.8
[M-H]-	160.07727	127.5
[M+Na-2H]-	182.05922	129.8
[M]+	161.08400	130.2
[M]-	161.08510	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe