CID 82411372

1494158-83-6

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CC(C1=CC2=C(C=C1)C=CN2C)N

InChI

InChI=1S/C11H14N2/c1-8(12)10-4-3-9-5-6-13(2)11(9)7-10/h3-8H,12H2,1-2H3

InChIKey

LGONSSKVZPJXKT-UHFFFAOYSA-N

Compound name

1-(1-methylindol-6-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.11569 Da
Monoisotopic Mass: 2.0
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]+	175.12297	137.1
[M+Na]+	197.10491	146.9
[M-H]-	173.10841	140.8
[M+NH4]+	192.14951	159.1
[M+K]+	213.07885	143.6
[M+H-H2O]+	157.11295	130.9
[M+HCOO]-	219.11389	161.3
[M+CH3COO]-	233.12954	184.4
[M+Na-2H]-	195.09036	142.7
[M]+	174.11514	137.8
[M]-	174.11624	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe