CID 10657638

9,10-didehydro-6-methylergolin-8alpha-amine

Structural Information

Molecular Formula
C15H17N3
SMILES
CN1C[C@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)N
InChI
InChI=1S/C15H17N3/c1-18-8-10(16)6-12-11-3-2-4-13-15(11)9(7-17-13)5-14(12)18/h2-4,6-7,10,14,17H,5,8,16H2,1H3/t10-,14+/m0/s1
InChIKey
YFPQZLKFHUVMEA-IINYFYTJSA-N
Compound name
(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

239.14224 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.149516 153.9
[M+Na]+ 262.131458 163.2
[M-H]- 238.134964 155.4
[M+NH4]+ 257.176063 173.3
[M+K]+ 278.105398 156.5
[M+H-H2O]+ 222.139500 146.3
[M+HCOO]- 284.140441 170.1
[M+CH3COO]- 298.156091 165.1
[M+Na-2H]- 260.116906 159.7
[M]+ 239.14169142 151.2
[M]- 239.14278858 151.2
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