CID 11206332

159393-48-3

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

COC(=O)N1CCCCC1=N

InChI

InChI=1S/C7H12N2O2/c1-11-7(10)9-5-3-2-4-6(9)8/h8H,2-5H2,1H3

InChIKey

FXRJAYYFDXSGOJ-UHFFFAOYSA-N

Compound name

methyl 2-iminopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 156.08987 Da
Monoisotopic Mass: 0.4
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]+	157.09715	132.8
[M+Na]+	179.07909	138.5
[M-H]-	155.08259	134.6
[M+NH4]+	174.12369	152.1
[M+K]+	195.05303	137.9
[M+H-H2O]+	139.08713	126.4
[M+HCOO]-	201.08807	153.3
[M+CH3COO]-	215.10372	176.8
[M+Na-2H]-	177.06454	137.5
[M]+	156.08932	128.5
[M]-	156.09042	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe