CID 126970993

5-(azetidin-3-yl)-2-methoxypyridine dihydrochloride

Structural Information

Molecular Formula
C9H12N2O
SMILES
COC1=NC=C(C=C1)C2CNC2
InChI
InChI=1S/C9H12N2O/c1-12-9-3-2-7(6-11-9)8-4-10-5-8/h2-3,6,8,10H,4-5H2,1H3
InChIKey
LSASUOREGLGDRY-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

164.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 132.0
[M+Na]+ 187.084178 138.5
[M-H]- 163.087684 134.4
[M+NH4]+ 182.128783 142.9
[M+K]+ 203.058118 139.0
[M+H-H2O]+ 147.092220 119.4
[M+HCOO]- 209.093161 151.0
[M+CH3COO]- 223.108811 178.9
[M+Na-2H]- 185.069626 138.8
[M]+ 164.09441142 138.6
[M]- 164.09550858 138.6
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