CID 5743760

2,3-pyridinediamine, 6-methoxy-n2-methyl-

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CNC1=C(C=CC(=N1)OC)N

InChI

InChI=1S/C7H11N3O/c1-9-7-5(8)3-4-6(10-7)11-2/h3-4H,8H2,1-2H3,(H,9,10)

InChIKey

ATCBPVDYYNJHSG-UHFFFAOYSA-N

Compound name

6-methoxy-2-N-methylpyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 6421
Patents: 153.09021 Da
Monoisotopic Mass: 0.8
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]+	154.09749	130.5
[M+Na]+	176.07943	139.0
[M-H]-	152.08293	133.0
[M+NH4]+	171.12403	150.0
[M+K]+	192.05337	137.4
[M+H-H2O]+	136.08747	123.8
[M+HCOO]-	198.08841	156.1
[M+CH3COO]-	212.10406	181.3
[M+Na-2H]-	174.06488	138.0
[M]+	153.08966	129.9
[M]-	153.09076	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe