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]+ 190.08626 137.8
[M+Na]+ 212.06820 147.1
[M-H]- 188.07170 141.2
[M+NH4]+ 207.11280 157.6
[M+K]+ 228.04214 144.1
[M+H-H2O]+ 172.07624 131.4
[M+HCOO]- 234.07718 158.3
[M+CH3COO]- 248.09283 183.9
[M+Na-2H]- 210.05365 144.3
[M]+ 189.07843 137.5
[M]- 189.07953 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