CID 56956222

Tert-butyl 3-(4-aminophenyl)azetidine-1-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

248.15248 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 160.9
[M+Na]+ 271.14170 166.9
[M+NH4]+ 266.18630 163.7
[M+K]+ 287.11564 164.0
[M-H]- 247.14520 160.1
[M+Na-2H]- 269.12715 163.6
[M]+ 248.15193 160.2
[M]- 248.15303 160.2
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