CID 177546115

Hydroxy-methyl-cyromazine

Structural Information

Molecular Formula

C₇H₁₂N₆O

SMILES

C1CC1NC2=NC(=NC(=N2)NCO)N

InChI

InChI=1S/C7H12N6O/c8-5-11-6(9-3-14)13-7(12-5)10-4-1-2-4/h4,14H,1-3H2,(H4,8,9,10,11,12,13)

InChIKey

ZUXDLRKSIHOLBL-UHFFFAOYSA-N

Compound name

[[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 196.10725 Da
Monoisotopic Mass: -0.1
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]+	197.114526	145.7
[M+Na]+	219.096468	155.1
[M-H]-	195.099974	148.2
[M+NH4]+	214.141073	155.0
[M+K]+	235.070408	149.6
[M+H-H2O]+	179.104510	137.2
[M+HCOO]-	241.105451	169.0
[M+CH3COO]-	255.121101	191.5
[M+Na-2H]-	217.081916	153.4
[M]+	196.10670142	144.9
[M]-	196.10779858	144.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.