CID 148421
Pterosin l
Structural Information
- Molecular Formula
- C15H20O4
- SMILES
- CC1=CC2=C(C(=C1CCO)C)C(=O)[C@]([C@H]2O)(C)CO
- InChI
- InChI=1S/C15H20O4/c1-8-6-11-12(9(2)10(8)4-5-16)14(19)15(3,7-17)13(11)18/h6,13,16-18H,4-5,7H2,1-3H3/t13-,15+/m0/s1
- InChIKey
- OOAFRMHKOSBPID-DZGCQCFKSA-N
- Compound name
- (2R,3S)-3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.14345 | 158.3 |
[M+Na]+ | 287.12539 | 168.6 |
[M-H]- | 263.12889 | 160.0 |
[M+NH4]+ | 282.16999 | 179.1 |
[M+K]+ | 303.09933 | 164.1 |
[M+H-H2O]+ | 247.13343 | 155.0 |
[M+HCOO]- | 309.13437 | 176.3 |
[M+CH3COO]- | 323.15002 | 194.0 |
[M+Na-2H]- | 285.11084 | 159.5 |
[M]+ | 264.13562 | 160.8 |
[M]- | 264.13672 | 160.8 |
Literature stripe
Patent stripe
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