CID 59657880

1337246-46-4

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(=O)N1CCC(C2=CC=CC=C21)N
InChI
InChI=1S/C11H14N2O/c1-8(14)13-7-6-10(12)9-4-2-3-5-11(9)13/h2-5,10H,6-7,12H2,1H3
InChIKey
UBTOHKCMZLCVOK-UHFFFAOYSA-N
Compound name
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

190.11061 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 141.5
[M+Na]+ 213.099828 148.5
[M-H]- 189.103334 144.0
[M+NH4]+ 208.144433 160.5
[M+K]+ 229.073768 145.6
[M+H-H2O]+ 173.107870 134.7
[M+HCOO]- 235.108811 160.9
[M+CH3COO]- 249.124461 185.9
[M+Na-2H]- 211.085276 146.6
[M]+ 190.11006142 137.6
[M]- 190.11115858 137.6
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