CID 18892

3414-75-3

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

C1CCN(C1)CC2=CNC3=C2C=C(C=C3)N

InChI

InChI=1S/C13H17N3/c14-11-3-4-13-12(7-11)10(8-15-13)9-16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6,9,14H2

InChIKey

XINXCFLBEJQVSW-UHFFFAOYSA-N

Compound name

3-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.14224 Da
Monoisotopic Mass: 1.7
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]+	216.149516	147.4
[M+Na]+	238.131458	155.3
[M-H]-	214.134964	151.1
[M+NH4]+	233.176063	166.8
[M+K]+	254.105398	150.2
[M+H-H2O]+	198.139500	139.7
[M+HCOO]-	260.140441	168.6
[M+CH3COO]-	274.156091	159.5
[M+Na-2H]-	236.116906	150.3
[M]+	215.14169142	143.6
[M]-	215.14278858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe