CID 13701369

Tert-butyl 2-(2-aminophenyl)acetate

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC(C)(C)OC(=O)CC1=CC=CC=C1N

InChI

InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)8-9-6-4-5-7-10(9)13/h4-7H,8,13H2,1-3H3

InChIKey

PTYKJKMISAEJIZ-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-aminophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 207.12593 Da
Monoisotopic Mass: 2.0
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]+	208.133206	147.7
[M+Na]+	230.115148	154.5
[M-H]-	206.118654	151.0
[M+NH4]+	225.159753	166.5
[M+K]+	246.089088	152.9
[M+H-H2O]+	190.123190	142.0
[M+HCOO]-	252.124131	169.8
[M+CH3COO]-	266.139781	188.7
[M+Na-2H]-	228.100596	152.3
[M]+	207.12538142	148.3
[M]-	207.12647858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe