CID 3430448

Benzoic acid, 2-amino-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1N

InChI

InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7H,12H2,1-3H3

InChIKey

HDXMPGOKFMBDHJ-UHFFFAOYSA-N

Compound name

tert-butyl 2-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 394
Patents: 193.11028 Da
Monoisotopic Mass: 2.9
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]+	194.11756	143.0
[M+Na]+	216.09950	150.3
[M-H]-	192.10300	146.5
[M+NH4]+	211.14410	162.4
[M+K]+	232.07344	148.9
[M+H-H2O]+	176.10754	137.5
[M+HCOO]-	238.10848	165.5
[M+CH3COO]-	252.12413	185.7
[M+Na-2H]-	214.08495	148.2
[M]+	193.10973	143.2
[M]-	193.11083	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe