CID 23786290
(1r,4ar,5s)-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2h-naphthalene-1-carboxylic acid
Structural Information
- Molecular Formula
- C20H32O3
- SMILES
- C[C@]12CCC[C@@](C1CCC(=C)[C@@H]2CCC(C)(C=C)O)(C)C(=O)O
- InChI
- InChI=1S/C20H32O3/c1-6-18(3,23)13-10-15-14(2)8-9-16-19(15,4)11-7-12-20(16,5)17(21)22/h6,15-16,23H,1-2,7-13H2,3-5H3,(H,21,22)/t15-,16?,18?,19+,20+/m0/s1
- InChIKey
- LMODNMXJBXUOQF-NFSBWDCGSA-N
- Compound name
- (1R,4aR,5S)-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.24242 | 178.5 |
[M+Na]+ | 343.22436 | 182.3 |
[M-H]- | 319.22786 | 178.5 |
[M+NH4]+ | 338.26896 | 196.6 |
[M+K]+ | 359.19830 | 177.9 |
[M+H-H2O]+ | 303.23240 | 174.8 |
[M+HCOO]- | 365.23334 | 187.3 |
[M+CH3COO]- | 379.24899 | 206.5 |
[M+Na-2H]- | 341.20981 | 179.0 |
[M]+ | 320.23459 | 173.4 |
[M]- | 320.23569 | 173.4 |
Literature stripe
Patent stripe
No patent data available for this compound.