CID 67255191

1171071-94-5

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

COC1=NC2=C(C=C1)NC=C2CCN

InChI

InChI=1S/C10H13N3O/c1-14-9-3-2-8-10(13-9)7(4-5-11)6-12-8/h2-3,6,12H,4-5,11H2,1H3

InChIKey

PARYOOFGSNPBEF-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 191.10587 Da
Monoisotopic Mass: 0.7
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]+	192.113146	139.8
[M+Na]+	214.095088	149.8
[M-H]-	190.098594	140.6
[M+NH4]+	209.139693	158.9
[M+K]+	230.069028	145.7
[M+H-H2O]+	174.103130	132.7
[M+HCOO]-	236.104071	162.7
[M+CH3COO]-	250.119721	182.8
[M+Na-2H]-	212.080536	146.6
[M]+	191.10532142	140.8
[M]-	191.10641858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe