CID 3080357
127914-18-5
Structural Information
- Molecular Formula
- C9H21N2O4PS
- SMILES
- CC(C)(C)NC(=O)CCNCCSP(=O)(O)O
- InChI
- InChI=1S/C9H21N2O4PS/c1-9(2,3)11-8(12)4-5-10-6-7-17-16(13,14)15/h10H,4-7H2,1-3H3,(H,11,12)(H2,13,14,15)
- InChIKey
- CYQRNPBQRYVWBA-UHFFFAOYSA-N
- Compound name
- 2-[[3-(tert-butylamino)-3-oxopropyl]amino]ethylsulfanylphosphonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 285.10326 | 166.0 |
[M+Na]+ | 307.08520 | 169.0 |
[M-H]- | 283.08870 | 161.6 |
[M+NH4]+ | 302.12980 | 180.6 |
[M+K]+ | 323.05914 | 166.9 |
[M+H-H2O]+ | 267.09324 | 157.9 |
[M+HCOO]- | 329.09418 | 184.9 |
[M+CH3COO]- | 343.10983 | 198.4 |
[M+Na-2H]- | 305.07065 | 166.0 |
[M]+ | 284.09543 | 168.4 |
[M]- | 284.09653 | 168.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.