CID 156620432

2567503-67-5

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

COC(=O)C1CN(C1)C2CCNCC2

InChI

InChI=1S/C10H18N2O2/c1-14-10(13)8-6-12(7-8)9-2-4-11-5-3-9/h8-9,11H,2-7H2,1H3

InChIKey

PFWKSLKJPWSYAI-UHFFFAOYSA-N

Compound name

methyl 1-piperidin-4-ylazetidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 198.13683 Da
Monoisotopic Mass: 0.0
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]+	199.144106	144.6
[M+Na]+	221.126048	147.3
[M-H]-	197.129554	145.8
[M+NH4]+	216.170653	153.6
[M+K]+	237.099988	148.8
[M+H-H2O]+	181.134090	131.5
[M+HCOO]-	243.135031	158.3
[M+CH3COO]-	257.150681	184.3
[M+Na-2H]-	219.111496	146.5
[M]+	198.13628142	147.4
[M]-	198.13737858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe