CID 82598950

5130-51-8

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CC1=C2C(=CNC2=NC=C1)CCN

InChI

InChI=1S/C10H13N3/c1-7-3-5-12-10-9(7)8(2-4-11)6-13-10/h3,5-6H,2,4,11H2,1H3,(H,12,13)

InChIKey

LIYPNUSFXKJKDX-UHFFFAOYSA-N

Compound name

2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.11095 Da
Monoisotopic Mass: 1.0
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]+	176.11823	136.8
[M+Na]+	198.10017	147.0
[M-H]-	174.10367	137.7
[M+NH4]+	193.14477	156.7
[M+K]+	214.07411	142.4
[M+H-H2O]+	158.10821	130.0
[M+HCOO]-	220.10915	159.6
[M+CH3COO]-	234.12480	150.1
[M+Na-2H]-	196.08562	143.7
[M]+	175.11040	136.4
[M]-	175.11150	136.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.