CID 76756

3270-74-4

Structural Information

Molecular Formula

C₆H₁₂N₂O₃

SMILES

C1CN(C(=O)N(C1)CO)CO

InChI

InChI=1S/C6H12N2O3/c9-4-7-2-1-3-8(5-10)6(7)11/h9-10H,1-5H2

InChIKey

IQDKUTQPYBHPJK-UHFFFAOYSA-N

Compound name

1,3-bis(hydroxymethyl)-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 484
Patents: 160.0848 Da
Monoisotopic Mass: -0.8
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]+	161.09208	134.1
[M+Na]+	183.07402	143.7
[M+NH4]+	178.11862	140.2
[M+K]+	199.04796	139.8
[M-H]-	159.07752	132.5
[M+Na-2H]-	181.05947	136.7
[M]+	160.08425	134.5
[M]-	160.08535	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe