CID 3069536

Brn 4430464

Structural Information

Molecular Formula

C₁₀H₁₄N₄

SMILES

CN1CCCC1=NC2=C(N=CC=C2)N

InChI

InChI=1S/C10H14N4/c1-14-7-3-5-9(14)13-8-4-2-6-12-10(8)11/h2,4,6H,3,5,7H2,1H3,(H2,11,12)

InChIKey

IRTSQGCXHILSGS-UHFFFAOYSA-N

Compound name

3-[(1-methylpyrrolidin-2-ylidene)amino]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.12184 Da
Monoisotopic Mass: 0.2
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]+	191.129116	141.4
[M+Na]+	213.111058	148.6
[M-H]-	189.114564	146.4
[M+NH4]+	208.155663	160.0
[M+K]+	229.084998	145.8
[M+H-H2O]+	173.119100	132.7
[M+HCOO]-	235.120041	165.6
[M+CH3COO]-	249.135691	188.3
[M+Na-2H]-	211.096506	146.0
[M]+	190.12129142	137.5
[M]-	190.12238858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe