CID 3159668

2,7-dimethoxyquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C12H11NO3
SMILES
COC1=CC2=NC(=C(C=C2C=C1)C=O)OC
InChI
InChI=1S/C12H11NO3/c1-15-10-4-3-8-5-9(7-14)12(16-2)13-11(8)6-10/h3-7H,1-2H3
InChIKey
PQECIFGEZCZGSO-UHFFFAOYSA-N
Compound name
2,7-dimethoxyquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

217.0739 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe