CID 155943427

2103809-45-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

COC(=O)C1CCCCN1C2COC2

InChI

InChI=1S/C10H17NO3/c1-13-10(12)9-4-2-3-5-11(9)8-6-14-7-8/h8-9H,2-7H2,1H3

InChIKey

RMOYHEFXLUTFKD-UHFFFAOYSA-N

Compound name

methyl 1-(oxetan-3-yl)piperidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.12085 Da
Monoisotopic Mass: 0.8
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]+	200.128126	138.8
[M+Na]+	222.110068	141.8
[M-H]-	198.113574	143.5
[M+NH4]+	217.154673	148.5
[M+K]+	238.084008	145.9
[M+H-H2O]+	182.118110	126.5
[M+HCOO]-	244.119051	154.7
[M+CH3COO]-	258.134701	186.2
[M+Na-2H]-	220.095516	142.4
[M]+	199.12030142	144.9
[M]-	199.12139858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.