CID 22729

6295-15-4

Structural Information

Molecular Formula

C₆H₁₁N₅O

SMILES

CCCOC1=NC(=NC(=N1)N)N

InChI

InChI=1S/C6H11N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3,(H4,7,8,9,10,11)

InChIKey

KVMMIYOZBPTUQR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 388
Patents: 169.09636 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]+	170.10364	134.3
[M+Na]+	192.08558	145.1
[M+NH4]+	187.13018	140.4
[M+K]+	208.05952	140.8
[M-H]-	168.08908	134.8
[M+Na-2H]-	190.07103	139.9
[M]+	169.09581	135.6
[M]-	169.09691	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe