CID 156027988

1-(1-boc-3-azetidinyl)-5-bromopyrazole

Structural Information

Molecular Formula
C11H16BrN3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C(=CC=N2)Br
InChI
InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-6-8(7-14)15-9(12)4-5-13-15/h4-5,8H,6-7H2,1-3H3
InChIKey
JFIKPZIMFODSJE-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5-bromopyrazol-1-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0426 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04988 164.0
[M+Na]+ 324.03182 161.3
[M+NH4]+ 319.07642 163.1
[M+K]+ 340.00576 166.1
[M-H]- 300.03532 159.8
[M+Na-2H]- 322.01727 162.6
[M]+ 301.04205 160.1
[M]- 301.04315 160.1
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.