CID 199462

2-diethylaminoethyl 4-methylpiperazine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₅N₃O₂

SMILES

CCN(CC)CCOC(=O)N1CCN(CC1)C

InChI

InChI=1S/C12H25N3O2/c1-4-14(5-2)10-11-17-12(16)15-8-6-13(3)7-9-15/h4-11H2,1-3H3

InChIKey

GBQWCNJINWMNPV-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-methylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 243.19467 Da
Monoisotopic Mass: 0.7
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]+	244.20195	160.8
[M+Na]+	266.18389	164.2
[M-H]-	242.18739	161.7
[M+NH4]+	261.22849	175.9
[M+K]+	282.15783	164.3
[M+H-H2O]+	226.19193	152.2
[M+HCOO]-	288.19287	178.6
[M+CH3COO]-	302.20852	199.0
[M+Na-2H]-	264.16934	162.2
[M]+	243.19412	160.9
[M]-	243.19522	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe