CID 3057607
74063-36-8
Structural Information
- Molecular Formula
- C27H44NO3
- SMILES
- CCCCCCCCC[N+]1(C2CCC1CC(C2)OC(=O)C(CCO)C3=CC=CC=C3)C
- InChI
- InChI=1S/C27H44NO3/c1-3-4-5-6-7-8-12-18-28(2)23-15-16-24(28)21-25(20-23)31-27(30)26(17-19-29)22-13-10-9-11-14-22/h9-11,13-14,23-26,29H,3-8,12,15-21H2,1-2H3/q+1
- InChIKey
- VQKKAEWMYPNRRN-UHFFFAOYSA-N
- Compound name
- (8-methyl-8-nonyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 431.33940 | 216.0 |
[M+Na]+ | 453.32134 | 215.7 |
[M-H]- | 429.32484 | 216.5 |
[M+NH4]+ | 448.36594 | 228.4 |
[M+K]+ | 469.29528 | 204.6 |
[M+H-H2O]+ | 413.32938 | 210.0 |
[M+HCOO]- | 475.33032 | 225.6 |
[M+CH3COO]- | 489.34597 | 221.7 |
[M+Na-2H]- | 451.30679 | 213.7 |
[M]+ | 430.33157 | 215.2 |
[M]- | 430.33267 | 215.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.