CID 173216
Einecs 277-596-6
Structural Information
- Molecular Formula
- C16H32N2O3
- SMILES
- CCCCCCCCCCCC(=O)NCCNCC(=O)O
- InChI
- InChI=1S/C16H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-13-12-17-14-16(20)21/h17H,2-14H2,1H3,(H,18,19)(H,20,21)
- InChIKey
- VOSXYJCXYDUALE-UHFFFAOYSA-N
- Compound name
- 2-[2-(dodecanoylamino)ethylamino]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 301.24858 | 178.9 |
[M+Na]+ | 323.23052 | 179.8 |
[M-H]- | 299.23402 | 175.9 |
[M+NH4]+ | 318.27512 | 192.5 |
[M+K]+ | 339.20446 | 177.3 |
[M+H-H2O]+ | 283.23856 | 171.5 |
[M+HCOO]- | 345.23950 | 199.0 |
[M+CH3COO]- | 359.25515 | 209.8 |
[M+Na-2H]- | 321.21597 | 178.2 |
[M]+ | 300.24075 | 181.9 |
[M]- | 300.24185 | 181.9 |
Literature stripe
No literature data available for this compound.