CID 3063083
Brn 5559222
Structural Information
- Molecular Formula
- C8H14N2O8
- SMILES
- C([C@H]([C@H]([C@@H](C(=O)CN(CC(=O)O)N=O)O)O)O)O
- InChI
- InChI=1S/C8H14N2O8/c11-3-5(13)8(17)7(16)4(12)1-10(9-18)2-6(14)15/h5,7-8,11,13,16-17H,1-3H2,(H,14,15)/t5-,7-,8-/m1/s1
- InChIKey
- JNKXTAWIHLIJOX-LPBLVHEISA-N
- Compound name
- 2-[nitroso-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 267.08228 | 153.5 |
[M+Na]+ | 289.06422 | 155.5 |
[M-H]- | 265.06772 | 149.1 |
[M+NH4]+ | 284.10882 | 166.0 |
[M+K]+ | 305.03816 | 158.1 |
[M+H-H2O]+ | 249.07226 | 147.0 |
[M+HCOO]- | 311.07320 | 170.5 |
[M+CH3COO]- | 325.08885 | 196.4 |
[M+Na-2H]- | 287.04967 | 151.5 |
[M]+ | 266.07445 | 153.6 |
[M]- | 266.07555 | 153.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.