CID 70088
869-52-3
Structural Information
- Molecular Formula
- C18H30N4O12
- SMILES
- C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
- InChI
- InChI=1S/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)
- InChIKey
- RAEOEMDZDMCHJA-UHFFFAOYSA-N
- Compound name
- 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 495.19332 | 217.2 |
[M+Na]+ | 517.17526 | 228.7 |
[M-H]- | 493.17876 | 233.3 |
[M+NH4]+ | 512.21986 | 229.9 |
[M+K]+ | 533.14920 | 221.6 |
[M+H-H2O]+ | 477.18330 | 218.7 |
[M+HCOO]- | 539.18424 | 202.3 |
[M+CH3COO]- | 553.19989 | 249.5 |
[M+Na-2H]- | 515.16071 | 209.9 |
[M]+ | 494.18549 | 209.4 |
[M]- | 494.18659 | 209.4 |