CID 76844937

1-(2-aminoethyl)-1,3-diazinane-2,4-dione hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

C1CN(C(=O)NC1=O)CCN

InChI

InChI=1S/C6H11N3O2/c7-2-4-9-3-1-5(10)8-6(9)11/h1-4,7H2,(H,8,10,11)

InChIKey

LKXRTPZXAXNJAJ-UHFFFAOYSA-N

Compound name

1-(2-aminoethyl)-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.08513 Da
Monoisotopic Mass: -1.9
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]+	158.092406	133.7
[M+Na]+	180.074348	140.4
[M-H]-	156.077854	132.4
[M+NH4]+	175.118953	150.7
[M+K]+	196.048288	138.1
[M+H-H2O]+	140.082390	126.9
[M+HCOO]-	202.083331	151.9
[M+CH3COO]-	216.098981	175.1
[M+Na-2H]-	178.059796	137.8
[M]+	157.08458142	127.8
[M]-	157.08567858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.