CID 10955357
629645-55-2
Structural Information
- Molecular Formula
- C9H12ClN3O2
- SMILES
- CC(C)(C)OC(=O)NC1=NC=CC(=N1)Cl
- InChI
- InChI=1S/C9H12ClN3O2/c1-9(2,3)15-8(14)13-7-11-5-4-6(10)12-7/h4-5H,1-3H3,(H,11,12,13,14)
- InChIKey
- IBBOTESNTLXAKP-UHFFFAOYSA-N
- Compound name
- tert-butyl N-(4-chloropyrimidin-2-yl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 230.06908 | 148.8 |
[M+Na]+ | 252.05102 | 157.6 |
[M-H]- | 228.05452 | 150.1 |
[M+NH4]+ | 247.09562 | 165.1 |
[M+K]+ | 268.02496 | 154.8 |
[M+H-H2O]+ | 212.05906 | 142.2 |
[M+HCOO]- | 274.06000 | 165.3 |
[M+CH3COO]- | 288.07565 | 188.8 |
[M+Na-2H]- | 250.03647 | 155.8 |
[M]+ | 229.06125 | 152.0 |
[M]- | 229.06235 | 152.0 |