CID 66831588

2378501-07-4

Structural Information

Molecular Formula

C₈H₁₀N₄O

SMILES

C1=CC2=C(N=C1)N(C(=O)N2)CCN

InChI

InChI=1S/C8H10N4O/c9-3-5-12-7-6(11-8(12)13)2-1-4-10-7/h1-2,4H,3,5,9H2,(H,11,13)

InChIKey

RYLJPONAOGDZLM-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-1H-imidazo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 178.08546 Da
Monoisotopic Mass: -0.9
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]+	179.09274	134.9
[M+Na]+	201.07468	147.4
[M+NH4]+	196.11928	141.9
[M+K]+	217.04862	143.7
[M-H]-	177.07818	135.0
[M+Na-2H]-	199.06013	140.6
[M]+	178.08491	136.4
[M]-	178.08601	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe