CID 165646873

2751611-23-9

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CC1(CN(CCN1)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-7-6-13-12(4,8-14)9(15)17-5/h13H,6-8H2,1-5H3

InChIKey

ZIGKUQLSRWBOJT-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 3-O-methyl 3-methylpiperazine-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.15796 Da
Monoisotopic Mass: 0.6
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]+	259.165236	160.5
[M+Na]+	281.147178	165.6
[M-H]-	257.150684	159.4
[M+NH4]+	276.191783	176.1
[M+K]+	297.121118	165.4
[M+H-H2O]+	241.155220	154.8
[M+HCOO]-	303.156161	173.4
[M+CH3COO]-	317.171811	190.9
[M+Na-2H]-	279.132626	163.2
[M]+	258.15741142	159.6
[M]-	258.15850858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe