CID 2736419

Ethyl 1,4-dimethylpiperazine-2-carboxylate

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CCOC(=O)C1CN(CCN1C)C

InChI

InChI=1S/C9H18N2O2/c1-4-13-9(12)8-7-10(2)5-6-11(8)3/h8H,4-7H2,1-3H3

InChIKey

RRXUQLWWJFBPKT-UHFFFAOYSA-N

Compound name

ethyl 1,4-dimethylpiperazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 186.13683 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]+	187.144106	143.2
[M+Na]+	209.126048	149.5
[M-H]-	185.129554	143.5
[M+NH4]+	204.170653	160.6
[M+K]+	225.099988	149.0
[M+H-H2O]+	169.134090	136.1
[M+HCOO]-	231.135031	160.4
[M+CH3COO]-	245.150681	183.5
[M+Na-2H]-	207.111496	145.8
[M]+	186.13628142	142.1
[M]-	186.13737858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe