CID 58073118

2-(azetidin-3-yloxy)-5-methylpyridine dihydrochloride

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=CN=C(C=C1)OC2CNC2
InChI
InChI=1S/C9H12N2O/c1-7-2-3-9(11-4-7)12-8-5-10-6-8/h2-4,8,10H,5-6H2,1H3
InChIKey
HBQLPZHMULMJKR-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yloxy)-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

164.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 132.0
[M+Na]+ 187.08418 138.5
[M-H]- 163.08768 134.4
[M+NH4]+ 182.12878 142.9
[M+K]+ 203.05812 139.0
[M+H-H2O]+ 147.09222 119.4
[M+HCOO]- 209.09316 151.0
[M+CH3COO]- 223.10881 178.9
[M+Na-2H]- 185.06963 138.8
[M]+ 164.09441 138.6
[M]- 164.09551 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