CID 89648045

Tert-butyl 3-amino-3-phenylazetidine-1-carboxylate

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CC=CC=C2)N
InChI
InChI=1S/C14H20N2O2/c1-13(2,3)18-12(17)16-9-14(15,10-16)11-7-5-4-6-8-11/h4-8H,9-10,15H2,1-3H3
InChIKey
ZIGCVNGIYACWBN-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-phenylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

248.15248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 161.8
[M+Na]+ 271.141698 166.7
[M-H]- 247.145204 166.5
[M+NH4]+ 266.186303 172.8
[M+K]+ 287.115638 168.0
[M+H-H2O]+ 231.149740 149.9
[M+HCOO]- 293.150681 180.0
[M+CH3COO]- 307.166331 197.4
[M+Na-2H]- 269.127146 165.9
[M]+ 248.15193142 169.4
[M]- 248.15302858 169.4
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