CID 9855868
Kainate lactone
Structural Information
- Molecular Formula
- C10H15NO4
- SMILES
- CC1([C@H]2CN[C@@H]([C@H]2CC(=O)O1)C(=O)O)C
- InChI
- InChI=1S/C10H15NO4/c1-10(2)6-4-11-8(9(13)14)5(6)3-7(12)15-10/h5-6,8,11H,3-4H2,1-2H3,(H,13,14)/t5-,6-,8-/m0/s1
- InChIKey
- GPHFPCZKKXKXCJ-HAFWLYHUSA-N
- Compound name
- (1S,3aR,7aS)-4,4-dimethyl-6-oxo-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrole-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 214.10739 | 145.4 |
[M+Na]+ | 236.08933 | 152.6 |
[M-H]- | 212.09283 | 146.3 |
[M+NH4]+ | 231.13393 | 165.0 |
[M+K]+ | 252.06327 | 151.2 |
[M+H-H2O]+ | 196.09737 | 141.2 |
[M+HCOO]- | 258.09831 | 159.3 |
[M+CH3COO]- | 272.11396 | 181.6 |
[M+Na-2H]- | 234.07478 | 148.0 |
[M]+ | 213.09956 | 142.2 |
[M]- | 213.10066 | 142.2 |
Literature stripe
Patent stripe
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