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

11
Patents

235.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.7
[M+Na]+ 258.14645 162.1
[M-H]- 234.14995 159.0
[M+NH4]+ 253.19105 173.5
[M+K]+ 274.12039 160.5
[M+H-H2O]+ 218.15449 150.3
[M+HCOO]- 280.15543 175.6
[M+CH3COO]- 294.17108 195.3
[M+Na-2H]- 256.13190 160.3
[M]+ 235.15668 156.5
[M]- 235.15778 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