CID 156733825

Tert-butyl n-[1-(4-bromophenyl)azetidin-3-yl]carbamate

Structural Information

Molecular Formula
C14H19BrN2O2
SMILES
CC(C)(C)OC(=O)NC1CN(C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)16-11-8-17(9-11)12-6-4-10(15)5-7-12/h4-7,11H,8-9H2,1-3H3,(H,16,18)
InChIKey
AANJQXJDGXLXDU-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-bromophenyl)azetidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

326.063 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.070276 163.1
[M+Na]+ 349.052218 170.7
[M-H]- 325.055724 170.2
[M+NH4]+ 344.096823 173.5
[M+K]+ 365.026158 163.2
[M+H-H2O]+ 309.060260 156.1
[M+HCOO]- 371.061201 179.6
[M+CH3COO]- 385.076851 208.2
[M+Na-2H]- 347.037666 167.8
[M]+ 326.06245142 189.0
[M]- 326.06354858 189.0
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