CID 59003

101832-73-9

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CC1=C(NC2=C1C=CC=C2N)C

InChI

InChI=1S/C10H12N2/c1-6-7(2)12-10-8(6)4-3-5-9(10)11/h3-5,12H,11H2,1-2H3

InChIKey

SRBIHKSWFZJZFZ-UHFFFAOYSA-N

Compound name

2,3-dimethyl-1H-indol-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 160.10005 Da
Monoisotopic Mass: 2.1
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	132.2
[M+Na]+	183.08927	143.3
[M-H]-	159.09277	135.0
[M+NH4]+	178.13387	154.4
[M+K]+	199.06321	138.9
[M+H-H2O]+	143.09731	126.7
[M+HCOO]-	205.09825	156.3
[M+CH3COO]-	219.11390	146.7
[M+Na-2H]-	181.07472	138.4
[M]+	160.09950	131.7
[M]-	160.10060	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe