CID 5274124
9,10-dihydrolysergol
Structural Information
- Molecular Formula
- C16H20N2O
- SMILES
- CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO
- InChI
- InChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-4,7,10,13,15,17,19H,5-6,8-9H2,1H3/t10-,13-,15-/m1/s1
- InChIKey
- UFKTZIXVYHGAES-WDBKCZKBSA-N
- Compound name
- [(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 257.16484 | 159.9 |
[M+Na]+ | 279.14678 | 168.0 |
[M-H]- | 255.15028 | 160.0 |
[M+NH4]+ | 274.19138 | 178.4 |
[M+K]+ | 295.12072 | 161.3 |
[M+H-H2O]+ | 239.15482 | 152.5 |
[M+HCOO]- | 301.15576 | 172.5 |
[M+CH3COO]- | 315.17141 | 170.1 |
[M+Na-2H]- | 277.13223 | 164.1 |
[M]+ | 256.15701 | 157.2 |
[M]- | 256.15811 | 157.2 |