CID 74617

1852-21-7

Structural Information

Molecular Formula

C₇H₁₅N₃O₄

SMILES

C1N(CN(C(=O)N1CO)CO)CCO

InChI

InChI=1S/C7H15N3O4/c11-2-1-8-3-9(5-12)7(14)10(4-8)6-13/h11-13H,1-6H2

InChIKey

PGGPMGYZMXPCOB-UHFFFAOYSA-N

Compound name

5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 205.10626 Da
Monoisotopic Mass: -1.6
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]+	206.11354	146.5
[M+Na]+	228.09548	154.9
[M+NH4]+	223.14008	150.6
[M+K]+	244.06942	152.2
[M-H]-	204.09898	143.0
[M+Na-2H]-	226.08093	146.9
[M]+	205.10571	146.0
[M]-	205.10681	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe