CID 64083081

1-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbaldehyde

Structural Information

Molecular Formula
C11H11NO2
SMILES
CN1C(=O)CCC2=C1C=CC(=C2)C=O
InChI
InChI=1S/C11H11NO2/c1-12-10-4-2-8(7-13)6-9(10)3-5-11(12)14/h2,4,6-7H,3,5H2,1H3
InChIKey
CWISRZZNBDVBIW-UHFFFAOYSA-N
Compound name
1-methyl-2-oxo-3,4-dihydroquinoline-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

189.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 137.8
[M+Na]+ 212.068198 147.1
[M-H]- 188.071704 141.2
[M+NH4]+ 207.112803 157.6
[M+K]+ 228.042138 144.1
[M+H-H2O]+ 172.076240 131.4
[M+HCOO]- 234.077181 158.3
[M+CH3COO]- 248.092831 183.9
[M+Na-2H]- 210.053646 144.3
[M]+ 189.07843142 137.5
[M]- 189.07952858 137.5
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