CID 100076

Ergoline, 1,6,8-trimethyl-, (8-beta)-

Structural Information

Molecular Formula
C17H22N2
SMILES
CC1CC2C(CC3=CN(C4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C17H22N2/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)3)8-16(14)18(2)9-11/h4-6,10-11,14,16H,7-9H2,1-3H3
InChIKey
ADPVUBKUMMKOKD-UHFFFAOYSA-N
Compound name
4,7,9-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 162.0
[M+Na]+ 277.167518 171.3
[M-H]- 253.171024 164.8
[M+NH4]+ 272.212123 182.2
[M+K]+ 293.141458 165.5
[M+H-H2O]+ 237.175560 153.8
[M+HCOO]- 299.176501 176.8
[M+CH3COO]- 313.192151 173.4
[M+Na-2H]- 275.152966 165.3
[M]+ 254.17775142 161.9
[M]- 254.17884858 161.9
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.