CID 4914628

1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C11H9NO2
SMILES
CN1C2=CC=CC=C2C=C(C1=O)C=O
InChI
InChI=1S/C11H9NO2/c1-12-10-5-3-2-4-8(10)6-9(7-13)11(12)14/h2-7H,1H3
InChIKey
AWJCCKYFFMSHCJ-UHFFFAOYSA-N
Compound name
1-methyl-2-oxoquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

187.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 135.1
[M+Na]+ 210.05254 146.5
[M-H]- 186.05604 139.3
[M+NH4]+ 205.09714 155.3
[M+K]+ 226.02648 143.1
[M+H-H2O]+ 170.06058 128.7
[M+HCOO]- 232.06152 158.5
[M+CH3COO]- 246.07717 183.3
[M+Na-2H]- 208.03799 143.6
[M]+ 187.06277 137.8
[M]- 187.06387 137.8
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

patents stripe