CID 5325612

3-acetylquinoline

Structural Information

Molecular Formula
C11H9NO
SMILES
CC(=O)C1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C11H9NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3
InChIKey
VMZYRGLKJCRGST-UHFFFAOYSA-N
Compound name
1-quinolin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

244
Patents

171.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 134.3
[M+Na]+ 194.05764 149.4
[M+NH4]+ 189.10224 143.9
[M+K]+ 210.03158 141.9
[M-H]- 170.06114 137.2
[M+Na-2H]- 192.04309 142.7
[M]+ 171.06787 137.4
[M]- 171.06897 137.4
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