CID 167721913
Tert-butyl n-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
Structural Information
- Molecular Formula
- C12H18FN3O2
- SMILES
- CC(C)(C)OC(=O)NC(C)(C)C1=NC=C(C=N1)F
- InChI
- InChI=1S/C12H18FN3O2/c1-11(2,3)18-10(17)16-12(4,5)9-14-6-8(13)7-15-9/h6-7H,1-5H3,(H,16,17)
- InChIKey
- XEBQSVMVUQFSAD-UHFFFAOYSA-N
- Compound name
- tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.14558 | 159.5 |
[M+Na]+ | 278.12752 | 166.8 |
[M-H]- | 254.13102 | 159.4 |
[M+NH4]+ | 273.17212 | 174.0 |
[M+K]+ | 294.10146 | 165.2 |
[M+H-H2O]+ | 238.13556 | 151.5 |
[M+HCOO]- | 300.13650 | 176.9 |
[M+CH3COO]- | 314.15215 | 197.3 |
[M+Na-2H]- | 276.11297 | 165.7 |
[M]+ | 255.13775 | 160.2 |
[M]- | 255.13885 | 160.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.