CID 57515736

Quinolin-7(8h)-one

Structural Information

Molecular Formula
C9H7NO
SMILES
C1C(=O)C=CC2=C1N=CC=C2
InChI
InChI=1S/C9H7NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h1-5H,6H2
InChIKey
MDFPCFIBVKKSJU-UHFFFAOYSA-N
Compound name
8H-quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

145.05276 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 125.5
[M+Na]+ 168.04198 134.6
[M-H]- 144.04548 128.8
[M+NH4]+ 163.08658 146.7
[M+K]+ 184.01592 131.9
[M+H-H2O]+ 128.05002 119.1
[M+HCOO]- 190.05096 147.7
[M+CH3COO]- 204.06661 139.7
[M+Na-2H]- 166.02743 135.4
[M]+ 145.05221 124.4
[M]- 145.05331 124.4
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