CID 233272

Benzoic acid, 4-amino-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

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

InChI

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

InChIKey

KYORUZMJUKHKFS-UHFFFAOYSA-N

Compound name

tert-butyl 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1573
Patents: 193.11028 Da
Monoisotopic Mass: 2.1
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]+	194.117556	143.0
[M+Na]+	216.099498	150.3
[M-H]-	192.103004	146.5
[M+NH4]+	211.144103	162.4
[M+K]+	232.073438	148.9
[M+H-H2O]+	176.107540	137.5
[M+HCOO]-	238.108481	165.5
[M+CH3COO]-	252.124131	185.7
[M+Na-2H]-	214.084946	148.2
[M]+	193.10973142	143.2
[M]-	193.11082858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe