CID 16219768

22006-78-6

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1[C@@H]2C(=C[C@H](CN2)C(=O)O)C3=C4C1=CNC4=CC=C3
InChI
InChI=1S/C15H14N2O2/c18-15(19)9-4-11-10-2-1-3-12-14(10)8(6-16-12)5-13(11)17-7-9/h1-4,6,9,13,16-17H,5,7H2,(H,18,19)/t9-,13-/m1/s1
InChIKey
VGLIYJAMHMSYBY-NOZJJQNGSA-N
Compound name
(6aR,9R)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 156.1
[M+Na]+ 277.09475 168.7
[M+NH4]+ 272.13935 164.6
[M+K]+ 293.06869 164.0
[M-H]- 253.09825 156.7
[M+Na-2H]- 275.08020 158.6
[M]+ 254.10498 157.9
[M]- 254.10608 157.9
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

No patent data available for this compound.