CID 164545645

Tert-butyl 3-(4-bromopiperidin-1-yl)azetidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H23BrN2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2CCC(CC2)Br
InChI
InChI=1S/C13H23BrN2O2/c1-13(2,3)18-12(17)16-8-11(9-16)15-6-4-10(14)5-7-15/h10-11H,4-9H2,1-3H3
InChIKey
BBTJDVKDCHVPHC-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-bromopiperidin-1-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10158 161.6
[M+Na]+ 341.08352 168.1
[M-H]- 317.08702 166.8
[M+NH4]+ 336.12812 171.5
[M+K]+ 357.05746 161.4
[M+H-H2O]+ 301.09156 155.6
[M+HCOO]- 363.09250 172.7
[M+CH3COO]- 377.10815 204.5
[M+Na-2H]- 339.06897 164.3
[M]+ 318.09375 184.8
[M]- 318.09485 184.8
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