CID 2757384

129799-11-7

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₄

SMILES

COC(=O)C1CN(CCN1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3

InChIKey

FYKXWBBQYZXPFB-UHFFFAOYSA-N

Compound name

1-O-benzyl 3-O-methyl piperazine-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 278.12665 Da
Monoisotopic Mass: 0.9
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]+	279.133926	164.1
[M+Na]+	301.115868	168.0
[M-H]-	277.119374	165.6
[M+NH4]+	296.160473	175.9
[M+K]+	317.089808	165.7
[M+H-H2O]+	261.123910	155.0
[M+HCOO]-	323.124851	179.3
[M+CH3COO]-	337.140501	193.5
[M+Na-2H]-	299.101316	165.9
[M]+	278.12610142	161.3
[M]-	278.12719858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe