CID 14274791

1,3-dimethyl-1,3,5-triazinan-2-one

Structural Information

Molecular Formula

C₅H₁₁N₃O

SMILES

CN1CNCN(C1=O)C

InChI

InChI=1S/C5H11N3O/c1-7-3-6-4-8(2)5(7)9/h6H,3-4H2,1-2H3

InChIKey

KVHYECHFPMHRKQ-UHFFFAOYSA-N

Compound name

1,3-dimethyl-1,3,5-triazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1169
Patents: 129.09021 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]+	130.09749	128.1
[M+Na]+	152.07943	139.2
[M+NH4]+	147.12403	135.0
[M+K]+	168.05337	134.4
[M-H]-	128.08293	127.3
[M+Na-2H]-	150.06488	132.0
[M]+	129.08966	129.1
[M]-	129.09076	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe