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]+ 327.07028 163.9
[M+Na]+ 349.05222 172.4
[M-H]- 325.05572 171.1
[M+NH4]+ 344.09682 176.1
[M+K]+ 365.02616 164.8
[M+H-H2O]+ 309.06026 158.4
[M+HCOO]- 371.06120 180.0
[M+CH3COO]- 385.07685 207.2
[M+Na-2H]- 347.03767 168.9
[M]+ 326.06245 189.5
[M]- 326.06355 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.