CID 219312

6-methoxyquinoline-4-carboxaldehyde

Structural Information

Molecular Formula
C11H9NO2
SMILES
COC1=CC2=C(C=CN=C2C=C1)C=O
InChI
InChI=1S/C11H9NO2/c1-14-9-2-3-11-10(6-9)8(7-13)4-5-12-11/h2-7H,1H3
InChIKey
PDGKZDPIWAKVLH-UHFFFAOYSA-N
Compound name
6-methoxyquinoline-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

187.06332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 136.5
[M+Na]+ 210.05254 146.6
[M-H]- 186.05604 140.2
[M+NH4]+ 205.09714 156.3
[M+K]+ 226.02648 143.8
[M+H-H2O]+ 170.06058 129.7
[M+HCOO]- 232.06152 159.7
[M+CH3COO]- 246.07717 182.9
[M+Na-2H]- 208.03799 145.6
[M]+ 187.06277 139.3
[M]- 187.06387 139.3
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