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

64
Patents

187.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 135.1
[M+Na]+ 210.052538 146.5
[M-H]- 186.056044 139.3
[M+NH4]+ 205.097143 155.3
[M+K]+ 226.026478 143.1
[M+H-H2O]+ 170.060580 128.7
[M+HCOO]- 232.061521 158.5
[M+CH3COO]- 246.077171 183.3
[M+Na-2H]- 208.037986 143.6
[M]+ 187.06277142 137.8
[M]- 187.06386858 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

literature stripe

Patent stripe

patents stripe