CID 14987

Lysergol

Structural Information

Molecular Formula
C16H18N2O
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CO
InChI
InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
InChIKey
BIXJFIJYBLJTMK-MEBBXXQBSA-N
Compound name
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

43
References

534
Patents

254.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 158.3
[M+Na]+ 277.13112 172.5
[M+NH4]+ 272.17572 168.0
[M+K]+ 293.10506 166.1
[M-H]- 253.13462 160.4
[M+Na-2H]- 275.11657 161.8
[M]+ 254.14135 161.0
[M]- 254.14245 161.0
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