CID 64311860

1-(4-amino-3,4-dihydroquinolin-1(2h)-yl)butan-1-one

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCCC(=O)N1CCC(C2=CC=CC=C21)N
InChI
InChI=1S/C13H18N2O/c1-2-5-13(16)15-9-8-11(14)10-6-3-4-7-12(10)15/h3-4,6-7,11H,2,5,8-9,14H2,1H3
InChIKey
RQAVLOXGTDFOML-UHFFFAOYSA-N
Compound name
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.7
[M+Na]+ 241.131118 156.9
[M-H]- 217.134624 152.8
[M+NH4]+ 236.175723 168.5
[M+K]+ 257.105058 153.5
[M+H-H2O]+ 201.139160 143.5
[M+HCOO]- 263.140101 169.5
[M+CH3COO]- 277.155751 192.0
[M+Na-2H]- 239.116566 154.8
[M]+ 218.14135142 147.5
[M]- 218.14244858 147.5
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

No patent data available for this compound.