CID 5468176
Nsc665758
Structural Information
- Molecular Formula
- C19H31NO3
- SMILES
- CC(C)/C=C\C(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
- InChI
- InChI=1S/C19H31NO3/c1-14(2)7-10-19(22,16-5-3-4-6-16)18(21)23-17-13-20-11-8-15(17)9-12-20/h7,10,14-17,22H,3-6,8-9,11-13H2,1-2H3/b10-7-
- InChIKey
- PZSSHNWVJGSMGY-YFHOEESVSA-N
- Compound name
- 1-azabicyclo[2.2.2]octan-3-yl (Z)-2-cyclopentyl-2-hydroxy-5-methylhex-3-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 322.23768 | 181.2 |
[M+Na]+ | 344.21962 | 179.7 |
[M-H]- | 320.22312 | 176.1 |
[M+NH4]+ | 339.26422 | 198.8 |
[M+K]+ | 360.19356 | 176.6 |
[M+H-H2O]+ | 304.22766 | 175.8 |
[M+HCOO]- | 366.22860 | 183.6 |
[M+CH3COO]- | 380.24425 | 209.0 |
[M+Na-2H]- | 342.20507 | 183.4 |
[M]+ | 321.22985 | 178.8 |
[M]- | 321.23095 | 178.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.