CID 65439895

94072-76-1

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CC(CC1=CNC2=C1C=CC=N2)N

InChI

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

InChIKey

NZVKOSYLRIIBLK-UHFFFAOYSA-N

Compound name

1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.11095 Da
Monoisotopic Mass: 1.1
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	137.2
[M+Na]+	198.10017	146.1
[M-H]-	174.10367	137.8
[M+NH4]+	193.14477	156.7
[M+K]+	214.07411	142.0
[M+H-H2O]+	158.10821	130.2
[M+HCOO]-	220.10915	158.9
[M+CH3COO]-	234.12480	150.0
[M+Na-2H]-	196.08562	143.6
[M]+	175.11040	135.8
[M]-	175.11150	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe