CID 17221794

709649-72-9

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CNCC1=CC2=C(C=C1)NC=C2

InChI

InChI=1S/C10H12N2/c1-11-7-8-2-3-10-9(6-8)4-5-12-10/h2-6,11-12H,7H2,1H3

InChIKey

UCAPGMOAKIBNSM-UHFFFAOYSA-N

Compound name

1-(1H-indol-5-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 160.10005 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]+	161.107326	131.4
[M+Na]+	183.089268	140.5
[M-H]-	159.092774	133.8
[M+NH4]+	178.133873	153.1
[M+K]+	199.063208	136.4
[M+H-H2O]+	143.097310	125.2
[M+HCOO]-	205.098251	156.1
[M+CH3COO]-	219.113901	145.3
[M+Na-2H]-	181.074716	140.1
[M]+	160.09950142	131.0
[M]-	160.10059858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe