CID 64083474

1803606-41-8

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CN1C(=O)CC2=C1C=CC(=C2)CN

InChI

InChI=1S/C10H12N2O/c1-12-9-3-2-7(6-11)4-8(9)5-10(12)13/h2-4H,5-6,11H2,1H3

InChIKey

SOTNTWXGJKWKIM-UHFFFAOYSA-N

Compound name

5-(aminomethyl)-1-methyl-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 176.09496 Da
Monoisotopic Mass: -0.2
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]+	177.10224	136.9
[M+Na]+	199.08418	148.6
[M+NH4]+	194.12878	145.6
[M+K]+	215.05812	144.2
[M-H]-	175.08768	139.0
[M+Na-2H]-	197.06963	141.7
[M]+	176.09441	138.9
[M]-	176.09551	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe