CID 13319561

3-(oxiran-2-yl)pyridine

Structural Information

Molecular Formula
C7H7NO
SMILES
C1C(O1)C2=CN=CC=C2
InChI
InChI=1S/C7H7NO/c1-2-6(4-8-3-1)7-5-9-7/h1-4,7H,5H2
InChIKey
QLGZSSLYMJHGRQ-UHFFFAOYSA-N
Compound name
3-(oxiran-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

173
Patents

121.052765 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 125.2
[M+Na]+ 144.04198 140.7
[M+NH4]+ 139.08659 135.2
[M+K]+ 160.01592 135.7
[M-H]- 120.04549 136.7
[M+Na-2H]- 142.02743 136.5
[M]+ 121.05222 131.9
[M]- 121.05331 131.9
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