CID 82423

1-acetyl-1,2-dihydroquinoline

Structural Information

Molecular Formula
C11H11NO
SMILES
CC(=O)N1CC=CC2=CC=CC=C21
InChI
InChI=1S/C11H11NO/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12/h2-7H,8H2,1H3
InChIKey
VGEPKKUTRKZFEW-UHFFFAOYSA-N
Compound name
1-(2H-quinolin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

173.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 135.3
[M+Na]+ 196.07328 143.3
[M-H]- 172.07678 138.4
[M+NH4]+ 191.11788 155.4
[M+K]+ 212.04722 140.6
[M+H-H2O]+ 156.08132 128.7
[M+HCOO]- 218.08226 155.9
[M+CH3COO]- 232.09791 180.2
[M+Na-2H]- 194.05873 142.9
[M]+ 173.08351 134.2
[M]- 173.08461 134.2
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