CID 18525784

4-(aminomethyl)-1-methyl-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CN1C=CC2=C(C=CC=C21)CN

InChI

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

InChIKey

WWWDKISXGAVFEQ-UHFFFAOYSA-N

Compound name

(1-methylindol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 160.10005 Da
Monoisotopic Mass: 0.9
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]+	161.107326	131.7
[M+Na]+	183.089268	142.3
[M-H]-	159.092774	135.4
[M+NH4]+	178.133873	154.3
[M+K]+	199.063208	138.7
[M+H-H2O]+	143.097310	125.6
[M+HCOO]-	205.098251	157.3
[M+CH3COO]-	219.113901	146.4
[M+Na-2H]-	181.074716	139.1
[M]+	160.09950142	132.6
[M]-	160.10059858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe