CID 3049231

1-((4-chlorophenyl)(methylimino)methyl)piperidine monohydrochloride

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂

SMILES

CN=C(C1=CC=C(C=C1)Cl)N2CCCCC2

InChI

InChI=1S/C13H17ClN2/c1-15-13(16-9-3-2-4-10-16)11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3

InChIKey

NCRRPEDPFOQOGX-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.10803 Da
Monoisotopic Mass: 3.0
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]+	237.115306	154.4
[M+Na]+	259.097248	159.7
[M-H]-	235.100754	159.7
[M+NH4]+	254.141853	171.6
[M+K]+	275.071188	155.4
[M+H-H2O]+	219.105290	146.4
[M+HCOO]-	281.106231	170.5
[M+CH3COO]-	295.121881	193.6
[M+Na-2H]-	257.082696	158.3
[M]+	236.10748142	151.4
[M]-	236.10857858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.