CID 68523095

1211876-26-4

Structural Information

Molecular Formula
C13H20BrN3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC(=N2)Br
InChI
InChI=1S/C13H20BrN3O2/c1-13(2,3)19-12(18)16-7-4-10(5-8-16)17-9-6-11(14)15-17/h6,9-10H,4-5,7-8H2,1-3H3
InChIKey
HZVCWGMCTPAYAC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-bromopyrazol-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

329.07388 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08116 172.7
[M+Na]+ 352.06310 173.2
[M+NH4]+ 347.10770 175.1
[M+K]+ 368.03704 176.1
[M-H]- 328.06660 171.3
[M+Na-2H]- 350.04855 173.3
[M]+ 329.07333 171.0
[M]- 329.07443 171.0
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