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 155.5
[M+Na]+ 277.09475 163.5
[M-H]- 253.09825 154.6
[M+NH4]+ 272.13935 172.9
[M+K]+ 293.06869 156.8
[M+H-H2O]+ 237.10279 148.6
[M+HCOO]- 299.10373 167.8
[M+CH3COO]- 313.11938 165.5
[M+Na-2H]- 275.08020 160.7
[M]+ 254.10498 152.0
[M]- 254.10608 152.0
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.