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

compound 2d structure
2
Annotation Hits

12
References

137
Patents

256.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe