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]+ 219.14918 150.7
[M+Na]+ 241.13112 156.9
[M-H]- 217.13462 152.8
[M+NH4]+ 236.17572 168.5
[M+K]+ 257.10506 153.5
[M+H-H2O]+ 201.13916 143.5
[M+HCOO]- 263.14010 169.5
[M+CH3COO]- 277.15575 192.0
[M+Na-2H]- 239.11657 154.8
[M]+ 218.14135 147.5
[M]- 218.14245 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.