CID 19828512

127168-90-5

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC(=O)C1=CC=CC2=C1CNC2

InChI

InChI=1S/C10H11NO2/c1-13-10(12)8-4-2-3-7-5-11-6-9(7)8/h2-4,11H,5-6H2,1H3

InChIKey

FSKIFEBBHBMCPU-UHFFFAOYSA-N

Compound name

methyl 2,3-dihydro-1H-isoindole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 177.07898 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]+	178.08626	137.4
[M+Na]+	200.06820	148.6
[M+NH4]+	195.11280	145.7
[M+K]+	216.04214	144.7
[M-H]-	176.07170	138.0
[M+Na-2H]-	198.05365	141.9
[M]+	177.07843	138.9
[M]-	177.07953	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe