CID 672297

1-(4-amino-2-methylquinolin-3-yl)ethanone

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=NC2=CC=CC=C2C(=C1C(=O)C)N
InChI
InChI=1S/C12H12N2O/c1-7-11(8(2)15)12(13)9-5-3-4-6-10(9)14-7/h3-6H,1-2H3,(H2,13,14)
InChIKey
YFGFFNPPTDOYLI-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methylquinolin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

16
Patents

200.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 143.0
[M+Na]+ 223.08418 152.6
[M-H]- 199.08768 146.5
[M+NH4]+ 218.12878 162.0
[M+K]+ 239.05812 149.0
[M+H-H2O]+ 183.09222 136.3
[M+HCOO]- 245.09316 165.0
[M+CH3COO]- 259.10881 190.1
[M+Na-2H]- 221.06963 149.0
[M]+ 200.09441 142.9
[M]- 200.09551 142.9
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