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

3
Patents

326.063 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07028 163.1
[M+Na]+ 349.05222 170.7
[M-H]- 325.05572 170.2
[M+NH4]+ 344.09682 173.5
[M+K]+ 365.02616 163.2
[M+H-H2O]+ 309.06026 156.1
[M+HCOO]- 371.06120 179.6
[M+CH3COO]- 385.07685 208.2
[M+Na-2H]- 347.03767 167.8
[M]+ 326.06245 189.0
[M]- 326.06355 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