CID 906097

101382-53-0

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=CC2=C(C=C1)NC(=O)C(=C2)C=O
InChI
InChI=1S/C11H9NO2/c1-7-2-3-10-8(4-7)5-9(6-13)11(14)12-10/h2-6H,1H3,(H,12,14)
InChIKey
ULNTVPBXVATJMS-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-1H-quinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

187.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 135.9
[M+Na]+ 210.05254 146.9
[M-H]- 186.05604 138.7
[M+NH4]+ 205.09714 155.4
[M+K]+ 226.02648 142.6
[M+H-H2O]+ 170.06058 129.8
[M+HCOO]- 232.06152 157.8
[M+CH3COO]- 246.07717 180.7
[M+Na-2H]- 208.03799 143.9
[M]+ 187.06277 136.7
[M]- 187.06387 136.7
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