CID 21993964
Tert-butyl 4-(3-aminopropyl)-1,4-diazepane-1-carboxylate
Structural Information
- Molecular Formula
- C13H27N3O2
- SMILES
- CC(C)(C)OC(=O)N1CCCN(CC1)CCCN
- InChI
- InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)16-9-5-8-15(10-11-16)7-4-6-14/h4-11,14H2,1-3H3
- InChIKey
- GONPMZVVASBVJR-UHFFFAOYSA-N
- Compound name
- tert-butyl 4-(3-aminopropyl)-1,4-diazepane-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 258.21761 | 159.4 |
[M+Na]+ | 280.19955 | 161.3 |
[M-H]- | 256.20305 | 160.0 |
[M+NH4]+ | 275.24415 | 172.3 |
[M+K]+ | 296.17349 | 164.9 |
[M+H-H2O]+ | 240.20759 | 151.0 |
[M+HCOO]- | 302.20853 | 173.9 |
[M+CH3COO]- | 316.22418 | 198.5 |
[M+Na-2H]- | 278.18500 | 160.9 |
[M]+ | 257.20978 | 154.1 |
[M]- | 257.21088 | 154.1 |
Literature stripe
No literature data available for this compound.