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

10
Patents

190.11061 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 141.5
[M+Na]+ 213.09983 148.5
[M-H]- 189.10333 144.0
[M+NH4]+ 208.14443 160.5
[M+K]+ 229.07377 145.6
[M+H-H2O]+ 173.10787 134.7
[M+HCOO]- 235.10881 160.9
[M+CH3COO]- 249.12446 185.9
[M+Na-2H]- 211.08528 146.6
[M]+ 190.11006 137.6
[M]- 190.11116 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