CID 3074542

159212-53-0

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CC1C2=C(C=CC(=C2)N)NC1=O

InChI

InChI=1S/C9H10N2O/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,10H2,1H3,(H,11,12)

InChIKey

FBGWTLQPDLOENE-UHFFFAOYSA-N

Compound name

5-amino-3-methyl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.07932 Da
Monoisotopic Mass: 0.7
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]+	163.086596	132.5
[M+Na]+	185.068538	142.1
[M-H]-	161.072044	134.6
[M+NH4]+	180.113143	154.2
[M+K]+	201.042478	138.2
[M+H-H2O]+	145.076580	127.0
[M+HCOO]-	207.077521	154.3
[M+CH3COO]-	221.093171	177.9
[M+Na-2H]-	183.053986	137.2
[M]+	162.07877142	129.4
[M]-	162.07986858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe