CID 28318597

N4-(2-methoxyethyl)pyridine-3,4-diamine

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

COCCNC1=C(C=NC=C1)N

InChI

InChI=1S/C8H13N3O/c1-12-5-4-11-8-2-3-10-6-7(8)9/h2-3,6H,4-5,9H2,1H3,(H,10,11)

InChIKey

XPQGGJHFUOMKTM-UHFFFAOYSA-N

Compound name

4-N-(2-methoxyethyl)pyridine-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 167.10587 Da
Monoisotopic Mass: 0.0
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]+	168.11315	134.9
[M+Na]+	190.09509	145.9
[M+NH4]+	185.13969	142.7
[M+K]+	206.06903	140.0
[M-H]-	166.09859	137.3
[M+Na-2H]-	188.08054	141.7
[M]+	167.10532	136.9
[M]-	167.10642	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe