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
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 |
Literature stripe
No literature data available for this compound.