CID 22060435

Tert-butyl2-(4-aminophenoxy)acetatehydrochloride

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC(C)(C)OC(=O)COC1=CC=C(C=C1)N
InChI
InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)8-15-10-6-4-9(13)5-7-10/h4-7H,8,13H2,1-3H3
InChIKey
PILOEPGCXYIQGI-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-aminophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

223.12085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe