CID 600262

101382-55-2

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC2=C(C=C1)C=C(C(=O)N2)C=O
InChI
InChI=1S/C11H9NO3/c1-15-9-3-2-7-4-8(6-13)11(14)12-10(7)5-9/h2-6H,1H3,(H,12,14)
InChIKey
VUKFTGRTRKQOKY-UHFFFAOYSA-N
Compound name
7-methoxy-2-oxo-1H-quinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

87
Patents

203.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.1
[M+Na]+ 226.04746 149.9
[M-H]- 202.05096 141.8
[M+NH4]+ 221.09206 157.7
[M+K]+ 242.02140 146.1
[M+H-H2O]+ 186.05550 132.6
[M+HCOO]- 248.05644 161.1
[M+CH3COO]- 262.07209 182.9
[M+Na-2H]- 224.03291 147.0
[M]+ 203.05769 141.3
[M]- 203.05879 141.3
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