CID 91664637

1356082-76-2

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

COCCN1CC2=C(C1=O)C=CC(=C2)N

InChI

InChI=1S/C11H14N2O2/c1-15-5-4-13-7-8-6-9(12)2-3-10(8)11(13)14/h2-3,6H,4-5,7,12H2,1H3

InChIKey

RXMAGKZNMHWDRZ-UHFFFAOYSA-N

Compound name

5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 206.10553 Da
Monoisotopic Mass: 0.1
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]+	207.11281	144.1
[M+Na]+	229.09475	153.1
[M-H]-	205.09825	147.2
[M+NH4]+	224.13935	164.6
[M+K]+	245.06869	150.2
[M+H-H2O]+	189.10279	137.7
[M+HCOO]-	251.10373	166.9
[M+CH3COO]-	265.11938	188.6
[M+Na-2H]-	227.08020	148.3
[M]+	206.10498	144.9
[M]-	206.10608	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe