CID 67261

134-97-4

Structural Information

Molecular Formula

C₇H₁₅N₃O₃

SMILES

CCN1CN(C(=O)N(C1)CO)CO

InChI

InChI=1S/C7H15N3O3/c1-2-8-3-9(5-11)7(13)10(4-8)6-12/h11-12H,2-6H2,1H3

InChIKey

PTNSEMBHJXYTES-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 81
Patents: 189.11134 Da
Monoisotopic Mass: -0.5
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]+	190.11862	143.3
[M+Na]+	212.10056	152.7
[M+NH4]+	207.14516	148.3
[M+K]+	228.07450	149.1
[M-H]-	188.10406	140.8
[M+Na-2H]-	210.08601	144.8
[M]+	189.11079	143.4
[M]-	189.11189	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe