CID 135618153

Isatin-n-propylimin

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CCCN=C1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C11H12N2O/c1-2-7-12-10-8-5-3-4-6-9(8)13-11(10)14/h3-6H,2,7H2,1H3,(H,12,13,14)

InChIKey

YRWRUTNAZBMBMU-UHFFFAOYSA-N

Compound name

3-propylimino-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 188.09496 Da
Monoisotopic Mass: 1.8
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]+	189.10224	139.8
[M+Na]+	211.08418	148.4
[M-H]-	187.08768	143.1
[M+NH4]+	206.12878	161.1
[M+K]+	227.05812	144.6
[M+H-H2O]+	171.09222	133.3
[M+HCOO]-	233.09316	163.3
[M+CH3COO]-	247.10881	184.4
[M+Na-2H]-	209.06963	145.7
[M]+	188.09441	139.0
[M]-	188.09551	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe