CID 11400

Ethyl 3-aminobenzoate

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CCOC(=O)C1=CC(=CC=C1)N

InChI

InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3

InChIKey

ZMCBYSBVJIMENC-UHFFFAOYSA-N

Compound name

ethyl 3-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 456
References: 8299
Patents: 165.07898 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]+	166.08626	133.9
[M+Na]+	188.06820	141.4
[M-H]-	164.07170	137.4
[M+NH4]+	183.11280	154.1
[M+K]+	204.04214	140.1
[M+H-H2O]+	148.07624	128.0
[M+HCOO]-	210.07718	158.6
[M+CH3COO]-	224.09283	179.9
[M+Na-2H]-	186.05365	139.4
[M]+	165.07843	133.9
[M]-	165.07953	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe