CID 46784145

N-[(1h-indol-2-yl)methyl]cyclopropanamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

C1CC1NCC2=CC3=CC=CC=C3N2

InChI

InChI=1S/C12H14N2/c1-2-4-12-9(3-1)7-11(14-12)8-13-10-5-6-10/h1-4,7,10,13-14H,5-6,8H2

InChIKey

LJBSGGMAGATZTF-UHFFFAOYSA-N

Compound name

N-(1H-indol-2-ylmethyl)cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 186.11569 Da
Monoisotopic Mass: 2.1
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]+	187.122966	136.7
[M+Na]+	209.104908	147.0
[M-H]-	185.108414	142.7
[M+NH4]+	204.149513	152.4
[M+K]+	225.078848	141.2
[M+H-H2O]+	169.112950	130.0
[M+HCOO]-	231.113891	161.1
[M+CH3COO]-	245.129541	149.9
[M+Na-2H]-	207.090356	144.8
[M]+	186.11514142	138.1
[M]-	186.11623858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe