CID 18675879

103854-57-5

Structural Information

Molecular Formula
C11H9NO
SMILES
CC(=O)C1=CC2=C(C=CC=N2)C=C1
InChI
InChI=1S/C11H9NO/c1-8(13)10-5-4-9-3-2-6-12-11(9)7-10/h2-7H,1H3
InChIKey
GYJFYBIYSURMOA-UHFFFAOYSA-N
Compound name
1-quinolin-7-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

171.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 133.5
[M+Na]+ 194.057638 142.6
[M-H]- 170.061144 137.0
[M+NH4]+ 189.102243 153.7
[M+K]+ 210.031578 139.6
[M+H-H2O]+ 154.065680 126.9
[M+HCOO]- 216.066621 155.5
[M+CH3COO]- 230.082271 180.6
[M+Na-2H]- 192.043086 142.2
[M]+ 171.06787142 134.0
[M]- 171.06896858 134.0
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