CID 62488034

Tert-butyl 2-amino-2-phenylpropanoate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)OC(=O)C(C)(C1=CC=CC=C1)N
InChI
InChI=1S/C13H19NO2/c1-12(2,3)16-11(15)13(4,14)10-8-6-5-7-9-10/h5-9H,14H2,1-4H3
InChIKey
SMFLSCJHGMOWSS-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.8
[M+Na]+ 244.130808 157.7
[M-H]- 220.134314 154.9
[M+NH4]+ 239.175413 169.8
[M+K]+ 260.104748 156.3
[M+H-H2O]+ 204.138850 146.3
[M+HCOO]- 266.139791 172.0
[M+CH3COO]- 280.155441 191.0
[M+Na-2H]- 242.116256 157.5
[M]+ 221.14104142 151.8
[M]- 221.14213858 151.8
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