CID 3049213

1-((methylimino)phenylmethyl)piperidine monohydrochloride

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

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

InChI

InChI=1S/C13H18N2/c1-14-13(12-8-4-2-5-9-12)15-10-6-3-7-11-15/h2,4-5,8-9H,3,6-7,10-11H2,1H3

InChIKey

NTQYIHYHLBODJK-UHFFFAOYSA-N

Compound name

N-methyl-1-phenyl-1-piperidin-1-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 202.147 Da
Monoisotopic Mass: 2.4
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]+	203.154276	147.2
[M+Na]+	225.136218	150.8
[M-H]-	201.139724	152.5
[M+NH4]+	220.180823	164.7
[M+K]+	241.110158	148.4
[M+H-H2O]+	185.144260	138.6
[M+HCOO]-	247.145201	168.0
[M+CH3COO]-	261.160851	188.8
[M+Na-2H]-	223.121666	152.5
[M]+	202.14645142	141.8
[M]-	202.14754858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe