CID 802432

123990-78-3

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC2=C(C=C1)NC(=O)C(=C2)C=O
InChI
InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(14)12-10/h2-6H,1H3,(H,12,14)
InChIKey
CUYFVLXHUGFIPJ-UHFFFAOYSA-N
Compound name
6-methoxy-2-oxo-1H-quinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

63
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 140.6
[M+Na]+ 226.04746 155.2
[M+NH4]+ 221.09206 148.4
[M+K]+ 242.02140 148.6
[M-H]- 202.05096 142.0
[M+Na-2H]- 224.03291 147.1
[M]+ 203.05769 143.0
[M]- 203.05879 143.0
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

patents stripe