CID 3017020

56216-28-5

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

COC1=C(C=C(C(=N1)OC)N)N

InChI

InChI=1S/C7H11N3O2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,8-9H2,1-2H3

InChIKey

BXBOXUNPNIJELB-UHFFFAOYSA-N

Compound name

2,6-dimethoxypyridine-3,5-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7275
Patents: 169.08513 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]+	170.09241	134.0
[M+Na]+	192.07435	143.3
[M-H]-	168.07785	136.4
[M+NH4]+	187.11895	152.7
[M+K]+	208.04829	142.0
[M+H-H2O]+	152.08239	127.3
[M+HCOO]-	214.08333	159.1
[M+CH3COO]-	228.09898	184.1
[M+Na-2H]-	190.05980	139.6
[M]+	169.08458	134.2
[M]-	169.08568	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe