CID 33271

26028-46-6

Structural Information

Molecular Formula

C₉H₁₅N₃O₃

SMILES

CC(=O)N1CN(CN(C1)C(=O)C)C(=O)C

InChI

InChI=1S/C9H15N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H2,1-3H3

InChIKey

OAQRIDXOGCNRLX-UHFFFAOYSA-N

Compound name

1-(3,5-diacetyl-1,3,5-triazinan-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 25
Patents: 213.11134 Da
Monoisotopic Mass: -1.2
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]+	214.118616	147.3
[M+Na]+	236.100558	153.9
[M-H]-	212.104064	146.6
[M+NH4]+	231.145163	162.0
[M+K]+	252.074498	153.5
[M+H-H2O]+	196.108600	139.8
[M+HCOO]-	258.109541	162.0
[M+CH3COO]-	272.125191	187.3
[M+Na-2H]-	234.086006	147.8
[M]+	213.11079142	145.5
[M]-	213.11188858	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe