CID 4572775
1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate
Structural Information
- Molecular Formula
- C11H19NO4
- SMILES
- CC(C)(C)OC(=O)N1CCC(C1)C(=O)OC
- InChI
- InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3
- InChIKey
- LIWFYAVKYUQMRE-UHFFFAOYSA-N
- Compound name
- 1-O-tert-butyl 3-O-methyl pyrrolidine-1,3-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 230.13869 | 152.8 |
[M+Na]+ | 252.12063 | 158.7 |
[M-H]- | 228.12413 | 154.7 |
[M+NH4]+ | 247.16523 | 171.5 |
[M+K]+ | 268.09457 | 159.2 |
[M+H-H2O]+ | 212.12867 | 147.2 |
[M+HCOO]- | 274.12961 | 171.0 |
[M+CH3COO]- | 288.14526 | 187.7 |
[M+Na-2H]- | 250.10608 | 153.8 |
[M]+ | 229.13086 | 154.5 |
[M]- | 229.13196 | 154.5 |