CID 12304904
20429-79-2
Structural Information
- Molecular Formula
- C12H22O11
- SMILES
- C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)O)O)O)O
- InChI
- InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1
- InChIKey
- HIWPGCMGAMJNRG-RTPHMHGBSA-N
- Compound name
- (3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 343.12348 | 174.7 |
[M+Na]+ | 365.10542 | 178.0 |
[M-H]- | 341.10892 | 172.1 |
[M+NH4]+ | 360.15002 | 180.1 |
[M+K]+ | 381.07936 | 178.7 |
[M+H-H2O]+ | 325.11346 | 168.3 |
[M+HCOO]- | 387.11440 | 178.6 |
[M+CH3COO]- | 401.13005 | 198.9 |
[M+Na-2H]- | 363.09087 | 172.0 |
[M]+ | 342.11565 | 171.2 |
[M]- | 342.11675 | 171.2 |