CID 45791860

5,7-dimethoxyquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C12H11NO3
SMILES
COC1=CC2=C(C=C(C=N2)C=O)C(=C1)OC
InChI
InChI=1S/C12H11NO3/c1-15-9-4-11-10(12(5-9)16-2)3-8(7-14)6-13-11/h3-7H,1-2H3
InChIKey
REMMPEQBRHIIEE-UHFFFAOYSA-N
Compound name
5,7-dimethoxyquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.1
[M+Na]+ 240.06312 154.6
[M-H]- 216.06662 148.0
[M+NH4]+ 235.10772 162.9
[M+K]+ 256.03706 152.1
[M+H-H2O]+ 200.07116 137.1
[M+HCOO]- 262.07210 167.1
[M+CH3COO]- 276.08775 189.2
[M+Na-2H]- 238.04857 152.0
[M]+ 217.07335 149.2
[M]- 217.07445 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.