CID 125514597

Tert-butyl 3-amino-3-(4-bromophenyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C14H19BrN2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C14H19BrN2O2/c1-13(2,3)19-12(18)17-8-14(16,9-17)10-4-6-11(15)7-5-10/h4-7H,8-9,16H2,1-3H3
InChIKey
JHFNSYOYDKQVNF-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-(4-bromophenyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.063 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.070276 163.9
[M+Na]+ 349.052218 172.4
[M-H]- 325.055724 171.1
[M+NH4]+ 344.096823 176.1
[M+K]+ 365.026158 164.8
[M+H-H2O]+ 309.060260 158.4
[M+HCOO]- 371.061201 180.0
[M+CH3COO]- 385.076851 207.2
[M+Na-2H]- 347.037666 168.9
[M]+ 326.06245142 189.5
[M]- 326.06354858 189.5
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

No patent data available for this compound.