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]+ 201.10224 138.8
[M+Na]+ 223.08418 145.6
[M-H]- 199.08768 141.8
[M+NH4]+ 218.12878 149.1
[M+K]+ 239.05812 144.6
[M+H-H2O]+ 183.09222 125.5
[M+HCOO]- 245.09316 156.7
[M+CH3COO]- 259.10881 150.3
[M+Na-2H]- 221.06963 147.3
[M]+ 200.09441 145.3
[M]- 200.09551 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.