CID 107313767

7-(azetidin-3-yloxy)quinoline dihydrochloride

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1C(CN1)OC2=CC3=C(C=CC=N3)C=C2
InChI
InChI=1S/C12H12N2O/c1-2-9-3-4-10(6-12(9)14-5-1)15-11-7-13-8-11/h1-6,11,13H,7-8H2
InChIKey
DQWKUAGQTFJTQT-UHFFFAOYSA-N
Compound name
7-(azetidin-3-yloxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 138.8
[M+Na]+ 223.084178 145.6
[M-H]- 199.087684 141.8
[M+NH4]+ 218.128783 149.1
[M+K]+ 239.058118 144.6
[M+H-H2O]+ 183.092220 125.5
[M+HCOO]- 245.093161 156.7
[M+CH3COO]- 259.108811 150.3
[M+Na-2H]- 221.069626 147.3
[M]+ 200.09441142 145.3
[M]- 200.09550858 145.3
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.