CID 83365

13348-19-1

Structural Information

Molecular Formula

C₆H₁₂N₂O₄

SMILES

C1C(CN(C(=O)N1CO)CO)O

InChI

InChI=1S/C6H12N2O4/c9-3-7-1-5(11)2-8(4-10)6(7)12/h5,9-11H,1-4H2

InChIKey

OEGBLDIRTKJJAM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 176.07971 Da
Monoisotopic Mass: -1.7
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]+	177.086986	137.4
[M+Na]+	199.068928	144.6
[M-H]-	175.072434	134.2
[M+NH4]+	194.113533	153.1
[M+K]+	215.042868	142.6
[M+H-H2O]+	159.076970	131.3
[M+HCOO]-	221.077911	152.4
[M+CH3COO]-	235.093561	172.3
[M+Na-2H]-	197.054376	140.5
[M]+	176.07916142	133.6
[M]-	176.08025858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe