CID 3019712

84145-24-4

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂

SMILES

CC1CN(CCC1(C#N)NC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C15H19N3O2/c1-12-10-18(14(19)20-2)9-8-15(12,11-16)17-13-6-4-3-5-7-13/h3-7,12,17H,8-10H2,1-2H3

InChIKey

AOEIBPYCEZZLSX-UHFFFAOYSA-N

Compound name

methyl 4-anilino-4-cyano-3-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 273.14774 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]+	274.155016	164.5
[M+Na]+	296.136958	172.1
[M-H]-	272.140464	168.1
[M+NH4]+	291.181563	179.0
[M+K]+	312.110898	167.5
[M+H-H2O]+	256.145000	150.2
[M+HCOO]-	318.145941	180.2
[M+CH3COO]-	332.161591	209.8
[M+Na-2H]-	294.122406	167.6
[M]+	273.14719142	156.9
[M]-	273.14828858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe