CID 3062778

8-methyl-1-propylergoline

Structural Information

Molecular Formula
C18H24N2
SMILES
CCCN1C=C2C[C@@H]3C(C[C@H](CN3)C)C4=C2C1=CC=C4
InChI
InChI=1S/C18H24N2/c1-3-7-20-11-13-9-16-15(8-12(2)10-19-16)14-5-4-6-17(20)18(13)14/h4-6,11-12,15-16,19H,3,7-10H2,1-2H3/t12-,15?,16-/m1/s1
InChIKey
BPIPCCOMTYADJH-IATLWXBXSA-N
Compound name
(6aR,9R)-9-methyl-4-propyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.19394 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 166.1
[M+Na]+ 291.183158 173.7
[M-H]- 267.186664 167.0
[M+NH4]+ 286.227763 184.8
[M+K]+ 307.157098 166.8
[M+H-H2O]+ 251.191200 157.9
[M+HCOO]- 313.192141 179.2
[M+CH3COO]- 327.207791 176.1
[M+Na-2H]- 289.168606 169.3
[M]+ 268.19339142 164.2
[M]- 268.19448858 164.2
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

No patent data available for this compound.