CID 213169
Propionylcarbamic acid 2-methyl-2-propyltrimethylene ester
Structural Information
- Molecular Formula
- C15H26N2O6
- SMILES
- CCC(=O)NC(=O)OCC(C)C(C(C)C)OC(=O)NC(=O)CC
- InChI
- InChI=1S/C15H26N2O6/c1-6-11(18)16-14(20)22-8-10(5)13(9(3)4)23-15(21)17-12(19)7-2/h9-10,13H,6-8H2,1-5H3,(H,16,18,20)(H,17,19,21)
- InChIKey
- WLMFHKDJSUDVFG-UHFFFAOYSA-N
- Compound name
- [2,4-dimethyl-3-(propanoylcarbamoyloxy)pentyl] N-propanoylcarbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 331.18636 | 180.8 |
[M+Na]+ | 353.16830 | 182.3 |
[M-H]- | 329.17180 | 180.0 |
[M+NH4]+ | 348.21290 | 204.3 |
[M+K]+ | 369.14224 | 184.4 |
[M+H-H2O]+ | 313.17634 | 173.9 |
[M+HCOO]- | 375.17728 | 194.0 |
[M+CH3COO]- | 389.19293 | 215.2 |
[M+Na-2H]- | 351.15375 | 175.5 |
[M]+ | 330.17853 | 184.7 |
[M]- | 330.17963 | 184.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.