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

26
Patents

248.15248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 161.8
[M+Na]+ 271.14170 166.7
[M-H]- 247.14520 166.5
[M+NH4]+ 266.18630 172.8
[M+K]+ 287.11564 168.0
[M+H-H2O]+ 231.14974 149.9
[M+HCOO]- 293.15068 180.0
[M+CH3COO]- 307.16633 197.4
[M+Na-2H]- 269.12715 165.9
[M]+ 248.15193 169.4
[M]- 248.15303 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