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]+ 255.112806 155.5
[M+Na]+ 277.094748 163.5
[M-H]- 253.098254 154.6
[M+NH4]+ 272.139353 172.9
[M+K]+ 293.068688 156.8
[M+H-H2O]+ 237.102790 148.6
[M+HCOO]- 299.103731 167.8
[M+CH3COO]- 313.119381 165.5
[M+Na-2H]- 275.080196 160.7
[M]+ 254.10498142 152.0
[M]- 254.10607858 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.