CID 138987658

2305253-18-1

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

C(C1=NC(=NC(=O)N1)N)O

InChI

InChI=1S/C4H6N4O2/c5-3-6-2(1-9)7-4(10)8-3/h9H,1H2,(H3,5,6,7,8,10)

InChIKey

FLGFTHNQWIRTFD-UHFFFAOYSA-N

Compound name

4-amino-6-(hydroxymethyl)-1H-1,3,5-triazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.04907 Da
Monoisotopic Mass: -1.9
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]+	143.05635	125.7
[M+Na]+	165.03829	137.0
[M+NH4]+	160.08289	131.3
[M+K]+	181.01223	133.5
[M-H]-	141.04179	124.4
[M+Na-2H]-	163.02374	130.7
[M]+	142.04852	126.4
[M]-	142.04962	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.