CID 21281467

90888-61-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CC1=C(C2=CC=CC=C2N1)CN

InChI

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

InChIKey

DQAIODDNCNXORY-UHFFFAOYSA-N

Compound name

(2-methyl-1H-indol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 160.10005 Da
Monoisotopic Mass: 1.3
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]+	161.10733	132.1
[M+Na]+	183.08927	145.1
[M+NH4]+	178.13387	141.4
[M+K]+	199.06321	140.0
[M-H]-	159.09277	134.7
[M+Na-2H]-	181.07472	138.9
[M]+	160.09950	134.6
[M]-	160.10060	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe