CID 272347

1-acetyl-1,2-dihydroquinoline-2-carbonitrile

Structural Information

Molecular Formula
C12H10N2O
SMILES
CC(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C12H10N2O/c1-9(15)14-11(8-13)7-6-10-4-2-3-5-12(10)14/h2-7,11H,1H3
InChIKey
JEUCELAYWFREBV-UHFFFAOYSA-N
Compound name
1-acetyl-2H-quinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

198.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 144.2
[M+Na]+ 221.06854 154.9
[M-H]- 197.07204 146.6
[M+NH4]+ 216.11314 161.4
[M+K]+ 237.04248 149.7
[M+H-H2O]+ 181.07658 131.0
[M+HCOO]- 243.07752 161.0
[M+CH3COO]- 257.09317 197.3
[M+Na-2H]- 219.05399 149.8
[M]+ 198.07877 138.6
[M]- 198.07987 138.6
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

No patent data available for this compound.