CID 28812115

2095410-39-0

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CC1=C(C2=C(N1)N=CC=C2)CCN

InChI

InChI=1S/C10H13N3/c1-7-8(4-5-11)9-3-2-6-12-10(9)13-7/h2-3,6H,4-5,11H2,1H3,(H,12,13)

InChIKey

NGIGLSMTWXHYSW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	136.5
[M+Na]+	198.10017	149.3
[M+NH4]+	193.14477	145.0
[M+K]+	214.07411	144.4
[M-H]-	174.10367	138.2
[M+Na-2H]-	196.08562	142.8
[M]+	175.11040	138.7
[M]-	175.11150	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe