CID 10561049

138563-68-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(C)(C)OC(=O)COC1=CC=CC(=C1)N

InChI

InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)8-15-10-6-4-5-9(13)7-10/h4-7H,8,13H2,1-3H3

InChIKey

SNWXFRCJJPEGER-UHFFFAOYSA-N

Compound name

tert-butyl 2-(3-aminophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 223.12085 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]+	224.12813	150.8
[M+Na]+	246.11007	157.5
[M-H]-	222.11357	154.1
[M+NH4]+	241.15467	168.8
[M+K]+	262.08401	156.4
[M+H-H2O]+	206.11811	144.8
[M+HCOO]-	268.11905	173.1
[M+CH3COO]-	282.13470	190.8
[M+Na-2H]-	244.09552	155.5
[M]+	223.12030	152.8
[M]-	223.12140	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe