CID 3042932
1h-benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-9b-butyl-3-methyl-, hydrobromide, cis-
Structural Information
- Molecular Formula
- C17H25NO
- SMILES
- CCCC[C@@]12CCN([C@@H]1CCC3=C2C=C(C=C3)O)C
- InChI
- InChI=1S/C17H25NO/c1-3-4-9-17-10-11-18(2)16(17)8-6-13-5-7-14(19)12-15(13)17/h5,7,12,16,19H,3-4,6,8-11H2,1-2H3/t16-,17+/m1/s1
- InChIKey
- MPNUDZSNJPIQNO-SJORKVTESA-N
- Compound name
- (3aR,9bS)-9b-butyl-3-methyl-2,3a,4,5-tetrahydro-1H-benzo[e]indol-8-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 260.20088 | 164.4 |
[M+Na]+ | 282.18282 | 171.4 |
[M-H]- | 258.18632 | 166.4 |
[M+NH4]+ | 277.22742 | 185.5 |
[M+K]+ | 298.15676 | 166.1 |
[M+H-H2O]+ | 242.19086 | 157.8 |
[M+HCOO]- | 304.19180 | 179.7 |
[M+CH3COO]- | 318.20745 | 175.1 |
[M+Na-2H]- | 280.16827 | 167.1 |
[M]+ | 259.19305 | 162.5 |
[M]- | 259.19415 | 162.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.