CID 41419

55330-13-7

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

C1CC1CNCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C14H18N2/c1-2-4-14-13(3-1)12(10-16-14)7-8-15-9-11-5-6-11/h1-4,10-11,15-16H,5-9H2

InChIKey

DASTYFCPRWHHSD-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)-2-(1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 214.147 Da
Monoisotopic Mass: 2.8
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]+	215.154276	145.1
[M+Na]+	237.136218	154.5
[M-H]-	213.139724	150.7
[M+NH4]+	232.180823	159.7
[M+K]+	253.110158	148.3
[M+H-H2O]+	197.144260	138.0
[M+HCOO]-	259.145201	168.9
[M+CH3COO]-	273.160851	157.5
[M+Na-2H]-	235.121666	152.1
[M]+	214.14645142	147.2
[M]-	214.14754858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe