CID 3047554

Ergoline, 8-methyl-, (8-beta)-

Structural Information

Molecular Formula
C15H18N2
SMILES
C[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)NC1
InChI
InChI=1S/C15H18N2/c1-9-5-12-11-3-2-4-13-15(11)10(8-17-13)6-14(12)16-7-9/h2-4,8-9,12,14,16-17H,5-7H2,1H3/t9-,12?,14-/m1/s1
InChIKey
ZYACKOKSHZQYDS-JTKGGMDMSA-N
Compound name
(6aR,9R)-9-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

226.147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 151.4
[M+Na]+ 249.136218 159.2
[M-H]- 225.139724 151.3
[M+NH4]+ 244.180823 170.9
[M+K]+ 265.110158 152.1
[M+H-H2O]+ 209.144260 144.0
[M+HCOO]- 271.145201 164.2
[M+CH3COO]- 285.160851 161.8
[M+Na-2H]- 247.121666 156.7
[M]+ 226.14645142 146.5
[M]- 226.14754858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe