CID 5310969

A-85380

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CN[C@@H]1COC2=CN=CC=C2
InChI
InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
InChIKey
XKFMBGWHHBCWCD-QMMMGPOBSA-N
Compound name
3-[[(2S)-azetidin-2-yl]methoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

105
References

188
Patents

164.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 131.2
[M+Na]+ 187.08418 136.8
[M-H]- 163.08768 133.2
[M+NH4]+ 182.12878 141.8
[M+K]+ 203.05812 137.4
[M+H-H2O]+ 147.09222 118.3
[M+HCOO]- 209.09316 150.3
[M+CH3COO]- 223.10881 177.9
[M+Na-2H]- 185.06963 138.9
[M]+ 164.09441 137.5
[M]- 164.09551 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe