CID 165676998

2803829-46-9

Structural Information

Molecular Formula
C12H18BrN3O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)N2C=CC(=N2)Br
InChI
InChI=1S/C12H18BrN3O2/c1-12(2,3)18-11(17)15-6-4-9(8-15)16-7-5-10(13)14-16/h5,7,9H,4,6,8H2,1-3H3
InChIKey
UOIABJBIZCPOGG-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromopyrazol-1-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.05823 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06551 168.2
[M+Na]+ 338.04745 179.0
[M-H]- 314.05095 174.1
[M+NH4]+ 333.09205 186.5
[M+K]+ 354.02139 169.5
[M+H-H2O]+ 298.05549 167.0
[M+HCOO]- 360.05643 184.1
[M+CH3COO]- 374.07208 199.1
[M+Na-2H]- 336.03290 169.6
[M]+ 315.05768 187.0
[M]- 315.05878 187.0
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

No patent data available for this compound.