CID 217010

37989-10-9

Structural Information

Molecular Formula

C₁₃H₁₅N₃

SMILES

C1CCN(C1)C2=CC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C13H15N3/c14-13-11-6-2-1-5-10(11)9-12(15-13)16-7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H2,14,15)

InChIKey

XAOOYSYTTGMKJX-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylisoquinolin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.1266 Da
Monoisotopic Mass: 2.7
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]+	214.133876	147.0
[M+Na]+	236.115818	154.5
[M-H]-	212.119324	151.4
[M+NH4]+	231.160423	165.2
[M+K]+	252.089758	149.9
[M+H-H2O]+	196.123860	138.5
[M+HCOO]-	258.124801	167.4
[M+CH3COO]-	272.140451	159.0
[M+Na-2H]-	234.101266	152.1
[M]+	213.12605142	142.7
[M]-	213.12714858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe