CID 28989

6245-89-2

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1=CC=C2C(=C1)C(=CN2)CCCN

InChI

InChI=1S/C11H14N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7,12H2

InChIKey

OOIAXMPVZJKJHK-UHFFFAOYSA-N

Compound name

3-(1H-indol-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 296
Patents: 174.11569 Da
Monoisotopic Mass: 1.9
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]+	175.122966	136.4
[M+Na]+	197.104908	145.2
[M-H]-	173.108414	138.2
[M+NH4]+	192.149513	157.4
[M+K]+	213.078848	140.5
[M+H-H2O]+	157.112950	130.1
[M+HCOO]-	219.113891	160.2
[M+CH3COO]-	233.129541	149.7
[M+Na-2H]-	195.090356	143.6
[M]+	174.11514142	135.4
[M]-	174.11623858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe