CID 22120220

1198178-56-1

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CC(C)(CN1CCNCC1)C(=O)OC

InChI

InChI=1S/C10H20N2O2/c1-10(2,9(13)14-3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3

InChIKey

HHKYFZUEQZIOGI-UHFFFAOYSA-N

Compound name

methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 200.15248 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]+	201.159756	149.3
[M+Na]+	223.141698	153.3
[M-H]-	199.145204	147.6
[M+NH4]+	218.186303	164.9
[M+K]+	239.115638	152.0
[M+H-H2O]+	183.149740	142.4
[M+HCOO]-	245.150681	163.1
[M+CH3COO]-	259.166331	181.9
[M+Na-2H]-	221.127146	153.0
[M]+	200.15193142	145.4
[M]-	200.15302858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe