CID 139595910
N-(perfluoropropanesulfonyl)-n-(3-dimethylaminopropyl)-3-aminopropanoic acid
Structural Information
- Molecular Formula
- C11H17F7N2O4S
- SMILES
- CN(C)CCCN(CCC(=O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C11H17F7N2O4S/c1-19(2)5-3-6-20(7-4-8(21)22)25(23,24)11(17,18)9(12,13)10(14,15)16/h3-7H2,1-2H3,(H,21,22)
- InChIKey
- LJJSIOCEXBIIPP-UHFFFAOYSA-N
- Compound name
- 3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 407.08698 | 177.0 |
[M+Na]+ | 429.06892 | 181.6 |
[M-H]- | 405.07242 | 169.0 |
[M+NH4]+ | 424.11352 | 187.0 |
[M+K]+ | 445.04286 | 180.6 |
[M+H-H2O]+ | 389.07696 | 165.4 |
[M+HCOO]- | 451.07790 | 189.4 |
[M+CH3COO]- | 465.09355 | 226.1 |
[M+Na-2H]- | 427.05437 | 177.8 |
[M]+ | 406.07915 | 172.5 |
[M]- | 406.08025 | 172.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.