CID 46941930

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

248.15248 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 160.7
[M+Na]+ 271.141698 165.6
[M-H]- 247.145204 165.3
[M+NH4]+ 266.186303 169.9
[M+K]+ 287.115638 166.7
[M+H-H2O]+ 231.149740 147.8
[M+HCOO]- 293.150681 178.8
[M+CH3COO]- 307.166331 199.0
[M+Na-2H]- 269.127146 163.0
[M]+ 248.15193142 168.3
[M]- 248.15302858 168.3
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