CID 439294
Scyllo-inosose
Structural Information
- Molecular Formula
- C6H10O6
- SMILES
- [C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O
- InChI
- InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1?,2-,3+,4+,5-
- InChIKey
- VYEGBDHSGHXOGT-ZLIBEWLCSA-N
- Compound name
- (2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.05502 | 133.0 |
[M+Na]+ | 201.03696 | 140.9 |
[M-H]- | 177.04046 | 130.6 |
[M+NH4]+ | 196.08156 | 150.2 |
[M+K]+ | 217.01090 | 138.7 |
[M+H-H2O]+ | 161.04500 | 129.2 |
[M+HCOO]- | 223.04594 | 147.8 |
[M+CH3COO]- | 237.06159 | 169.6 |
[M+Na-2H]- | 199.02241 | 134.1 |
[M]+ | 178.04719 | 128.3 |
[M]- | 178.04829 | 128.3 |