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

14
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 160.7
[M+Na]+ 271.14170 165.6
[M-H]- 247.14520 165.3
[M+NH4]+ 266.18630 169.9
[M+K]+ 287.11564 166.7
[M+H-H2O]+ 231.14974 147.8
[M+HCOO]- 293.15068 178.8
[M+CH3COO]- 307.16633 199.0
[M+Na-2H]- 269.12715 163.0
[M]+ 248.15193 168.3
[M]- 248.15303 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