CID 67084521

877401-26-8

Structural Information

Molecular Formula
C14H22BrN3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2C=C(C=N2)Br
InChI
InChI=1S/C14H22BrN3O2/c1-14(2,3)20-13(19)17-6-4-11(5-7-17)9-18-10-12(15)8-16-18/h8,10-11H,4-7,9H2,1-3H3
InChIKey
CPQOXXUFBKSPFB-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(4-bromopyrazol-1-yl)methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

343.08954 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09682 175.4
[M+Na]+ 366.07876 184.4
[M-H]- 342.08226 180.3
[M+NH4]+ 361.12336 190.7
[M+K]+ 382.05270 174.0
[M+H-H2O]+ 326.08680 173.5
[M+HCOO]- 388.08774 188.5
[M+CH3COO]- 402.10339 204.7
[M+Na-2H]- 364.06421 177.3
[M]+ 343.08899 192.9
[M]- 343.09009 192.9
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