CID 4479450
Zinc00897474
Structural Information
- Molecular Formula
- C11H19NO6
- SMILES
- CC(C)C(C#N)OC1C(C(C(C(O1)CO)O)O)O
- InChI
- InChI=1S/C11H19NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3
- InChIKey
- CQWWASNOGSDPRL-UHFFFAOYSA-N
- Compound name
- 3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 262.12853 | 154.7 |
[M+Na]+ | 284.11047 | 161.4 |
[M-H]- | 260.11397 | 153.7 |
[M+NH4]+ | 279.15507 | 166.5 |
[M+K]+ | 300.08441 | 161.3 |
[M+H-H2O]+ | 244.11851 | 143.4 |
[M+HCOO]- | 306.11945 | 164.4 |
[M+CH3COO]- | 320.13510 | 201.1 |
[M+Na-2H]- | 282.09592 | 153.8 |
[M]+ | 261.12070 | 148.5 |
[M]- | 261.12180 | 148.5 |
Literature stripe
No literature data available for this compound.