CID 80555799

Tert-butyl 2-(4-aminophenyl)-2-methylpropanoate

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C=C1)N
InChI
InChI=1S/C14H21NO2/c1-13(2,3)17-12(16)14(4,5)10-6-8-11(15)9-7-10/h6-9H,15H2,1-5H3
InChIKey
IUZXJBQHOONERY-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-aminophenyl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

235.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 155.7
[M+Na]+ 258.146448 162.1
[M-H]- 234.149954 159.0
[M+NH4]+ 253.191053 173.5
[M+K]+ 274.120388 160.5
[M+H-H2O]+ 218.154490 150.3
[M+HCOO]- 280.155431 175.6
[M+CH3COO]- 294.171081 195.3
[M+Na-2H]- 256.131896 160.3
[M]+ 235.15668142 156.5
[M]- 235.15777858 156.5
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