CID 62901082

929899-37-6

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC1=CC=C(N1C2=CN=C(C=C2)N)C

InChI

InChI=1S/C11H13N3/c1-8-3-4-9(2)14(8)10-5-6-11(12)13-7-10/h3-7H,1-2H3,(H2,12,13)

InChIKey

FGAIQLDOAZAZBT-UHFFFAOYSA-N

Compound name

5-(2,5-dimethylpyrrol-1-yl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 187.11095 Da
Monoisotopic Mass: 1.7
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]+	188.118226	140.6
[M+Na]+	210.100168	150.5
[M-H]-	186.103674	145.2
[M+NH4]+	205.144773	159.5
[M+K]+	226.074108	146.8
[M+H-H2O]+	170.108210	132.8
[M+HCOO]-	232.109151	164.6
[M+CH3COO]-	246.124801	185.8
[M+Na-2H]-	208.085616	145.0
[M]+	187.11040142	140.0
[M]-	187.11149858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe