CID 589334

91301-03-0

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)C=O
InChI
InChI=1S/C10H7NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)
InChIKey
VWHKEYXRRNSJTN-UHFFFAOYSA-N
Compound name
2-oxo-1H-quinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

277
Patents

173.04768 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 131.5
[M+Na]+ 196.03690 142.0
[M-H]- 172.04040 134.1
[M+NH4]+ 191.08150 151.1
[M+K]+ 212.01084 137.8
[M+H-H2O]+ 156.04494 125.3
[M+HCOO]- 218.04588 153.7
[M+CH3COO]- 232.06153 176.5
[M+Na-2H]- 194.02235 140.7
[M]+ 173.04713 131.5
[M]- 173.04823 131.5
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