CID 116002

63979-36-2

Structural Information

Molecular Formula

C₉H₁₅N₅O

SMILES

C1CCC(CC1)OC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C9H15N5O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h6H,1-5H2,(H4,10,11,12,13,14)

InChIKey

XDONWVQLBDAVEB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 209.12766 Da
Monoisotopic Mass: 1.4
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]+	210.13494	145.9
[M+Na]+	232.11688	156.4
[M+NH4]+	227.16148	152.7
[M+K]+	248.09082	151.5
[M-H]-	208.12038	148.7
[M+Na-2H]-	230.10233	152.3
[M]+	209.12711	147.7
[M]-	209.12821	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe