CID 262751

Tert-butyl 2-amino-3-phenylpropanoate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C13H19NO2/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3
InChIKey
QOISWWBTZMFUEL-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1836
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 152.9
[M+Na]+ 244.130808 158.0
[M-H]- 220.134314 155.7
[M+NH4]+ 239.175413 170.7
[M+K]+ 260.104748 156.6
[M+H-H2O]+ 204.138850 146.8
[M+HCOO]- 266.139791 173.7
[M+CH3COO]- 280.155441 191.4
[M+Na-2H]- 242.116256 156.4
[M]+ 221.14104142 152.7
[M]- 221.14213858 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe