CID 22378096

Schembl8483997

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CN(CC(=O)OC)C1CCNCC1

InChI

InChI=1S/C9H18N2O2/c1-11(7-9(12)13-2)8-3-5-10-6-4-8/h8,10H,3-7H2,1-2H3

InChIKey

QUIATCQUBYMWID-UHFFFAOYSA-N

Compound name

methyl 2-[methyl(piperidin-4-yl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 186.13683 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]+	187.14411	143.4
[M+Na]+	209.12605	151.4
[M+NH4]+	204.17065	150.4
[M+K]+	225.09999	147.1
[M-H]-	185.12955	143.8
[M+Na-2H]-	207.11150	146.8
[M]+	186.13628	144.2
[M]-	186.13738	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe