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

1
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.8
[M+Na]+ 244.13081 157.7
[M-H]- 220.13431 154.9
[M+NH4]+ 239.17541 169.8
[M+K]+ 260.10475 156.3
[M+H-H2O]+ 204.13885 146.3
[M+HCOO]- 266.13979 172.0
[M+CH3COO]- 280.15544 191.0
[M+Na-2H]- 242.11626 157.5
[M]+ 221.14104 151.8
[M]- 221.14214 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