CID 114518365
Tert-butyl 4-(chlorosulfonyl)-1,4-diazepane-1-carboxylate
Structural Information
- Molecular Formula
- C10H19ClN2O4S
- SMILES
- CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)Cl
- InChI
- InChI=1S/C10H19ClN2O4S/c1-10(2,3)17-9(14)12-5-4-6-13(8-7-12)18(11,15)16/h4-8H2,1-3H3
- InChIKey
- MLPZHYQMQBAWIF-UHFFFAOYSA-N
- Compound name
- tert-butyl 4-chlorosulfonyl-1,4-diazepane-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 299.08268 | 158.7 |
[M+Na]+ | 321.06462 | 163.6 |
[M-H]- | 297.06812 | 160.3 |
[M+NH4]+ | 316.10922 | 171.6 |
[M+K]+ | 337.03856 | 166.5 |
[M+H-H2O]+ | 281.07266 | 151.8 |
[M+HCOO]- | 343.07360 | 163.8 |
[M+CH3COO]- | 357.08925 | 195.8 |
[M+Na-2H]- | 319.05007 | 160.3 |
[M]+ | 298.07485 | 158.2 |
[M]- | 298.07595 | 158.2 |
Literature stripe
No literature data available for this compound.