CID 169471
Synthanecine a bis-n-ethylcarbamate
Structural Information
- Molecular Formula
- C13H23N3O4
- SMILES
- CCNC(=O)OCC1C(=CCN1C)COC(=O)NCC
- InChI
- InChI=1S/C13H23N3O4/c1-4-14-12(17)19-8-10-6-7-16(3)11(10)9-20-13(18)15-5-2/h6,11H,4-5,7-9H2,1-3H3,(H,14,17)(H,15,18)
- InChIKey
- NZCFZZYGXWNZAO-UHFFFAOYSA-N
- Compound name
- [3-(ethylcarbamoyloxymethyl)-1-methyl-2,5-dihydropyrrol-2-yl]methyl N-ethylcarbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.17613 | 167.8 |
[M+Na]+ | 308.15807 | 172.3 |
[M-H]- | 284.16157 | 169.6 |
[M+NH4]+ | 303.20267 | 183.6 |
[M+K]+ | 324.13201 | 171.7 |
[M+H-H2O]+ | 268.16611 | 160.0 |
[M+HCOO]- | 330.16705 | 190.3 |
[M+CH3COO]- | 344.18270 | 204.3 |
[M+Na-2H]- | 306.14352 | 167.8 |
[M]+ | 285.16830 | 170.8 |
[M]- | 285.16940 | 170.8 |
Literature stripe
Patent stripe
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