CID 6857537

Ergoline

Structural Information

Molecular Formula
C14H16N2
SMILES
C1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)NC1
InChI
InChI=1S/C14H16N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h1,3,5,8,10,13,15-16H,2,4,6-7H2/t10-,13-/m1/s1
InChIKey
RHGUXDUPXYFCTE-ZWNOBZJWSA-N
Compound name
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4415
References

2843
Patents

212.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 145.7
[M+Na]+ 235.12057 153.1
[M-H]- 211.12407 145.4
[M+NH4]+ 230.16517 165.5
[M+K]+ 251.09451 146.2
[M+H-H2O]+ 195.12861 138.3
[M+HCOO]- 257.12955 159.0
[M+CH3COO]- 271.14520 156.3
[M+Na-2H]- 233.10602 152.5
[M]+ 212.13080 140.2
[M]- 212.13190 140.2
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