CID 32220

S-triazine, 4,6-diamino-2-hexoxy-

Structural Information

Molecular Formula

C₉H₁₇N₅O

SMILES

CCCCCCOC1=NC(=NC(=N1)N)N

InChI

InChI=1S/C9H17N5O/c1-2-3-4-5-6-15-9-13-7(10)12-8(11)14-9/h2-6H2,1H3,(H4,10,11,12,13,14)

InChIKey

ZKKLTSRYHIOSGF-UHFFFAOYSA-N

Compound name

6-hexoxy-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.14331 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]+	212.150586	149.1
[M+Na]+	234.132528	156.8
[M-H]-	210.136034	147.9
[M+NH4]+	229.177133	163.2
[M+K]+	250.106468	153.9
[M+H-H2O]+	194.140570	140.3
[M+HCOO]-	256.141511	170.8
[M+CH3COO]-	270.157161	192.5
[M+Na-2H]-	232.117976	154.7
[M]+	211.14276142	149.3
[M]-	211.14385858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe