CID 118884292

2361645-69-2

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

COC(C1CCNCC1)C(=O)OC

InChI

InChI=1S/C9H17NO3/c1-12-8(9(11)13-2)7-3-5-10-6-4-7/h7-8,10H,3-6H2,1-2H3

InChIKey

ISGDQKXBYIDBQO-UHFFFAOYSA-N

Compound name

methyl 2-methoxy-2-piperidin-4-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 187.12085 Da
Monoisotopic Mass: 0.3
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]+	188.128126	143.2
[M+Na]+	210.110068	146.8
[M-H]-	186.113574	142.8
[M+NH4]+	205.154673	160.3
[M+K]+	226.084008	146.5
[M+H-H2O]+	170.118110	136.6
[M+HCOO]-	232.119051	159.4
[M+CH3COO]-	246.134701	178.7
[M+Na-2H]-	208.095516	145.4
[M]+	187.12030142	139.7
[M]-	187.12139858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe