CID 23274

6843-23-8

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

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

InChI

InChI=1S/C10H12N2/c1-12(2)9-3-4-10-8(7-9)5-6-11-10/h3-7,11H,1-2H3

InChIKey

GDUMASAEKWMYGV-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1H-indol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 160.10005 Da
Monoisotopic Mass: 2.4
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	131.9
[M+Na]+	183.089268	141.2
[M-H]-	159.092774	135.8
[M+NH4]+	178.133873	154.3
[M+K]+	199.063208	138.5
[M+H-H2O]+	143.097310	125.6
[M+HCOO]-	205.098251	157.1
[M+CH3COO]-	219.113901	146.4
[M+Na-2H]-	181.074716	139.8
[M]+	160.09950142	132.8
[M]-	160.10059858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe