CID 115018519

2418723-13-2

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC(=O)C1=CC=CC=C1C2(CC2)N

InChI

InChI=1S/C11H13NO2/c1-14-10(13)8-4-2-3-5-9(8)11(12)6-7-11/h2-5H,6-7,12H2,1H3

InChIKey

XTHDKMMCHOGFRJ-UHFFFAOYSA-N

Compound name

methyl 2-(1-aminocyclopropyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.09464 Da
Monoisotopic Mass: 1.6
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]+	192.10192	143.9
[M+Na]+	214.08386	157.0
[M+NH4]+	209.12846	154.1
[M+K]+	230.05780	150.9
[M-H]-	190.08736	154.3
[M+Na-2H]-	212.06931	154.8
[M]+	191.09409	149.9
[M]-	191.09519	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe