CID 79773

2-(1,3-dioxolan-2-yl)pyridine

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1COC(O1)C2=CC=CC=N2
InChI
InChI=1S/C8H9NO2/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-4,8H,5-6H2
InChIKey
FPSCKCFSKOKOHC-UHFFFAOYSA-N
Compound name
2-(1,3-dioxolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

151.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.5
[M+Na]+ 174.05254 134.7
[M-H]- 150.05604 133.8
[M+NH4]+ 169.09714 146.0
[M+K]+ 190.02648 135.8
[M+H-H2O]+ 134.06058 120.9
[M+HCOO]- 196.06152 149.0
[M+CH3COO]- 210.07717 141.7
[M+Na-2H]- 172.03799 135.8
[M]+ 151.06277 126.9
[M]- 151.06387 126.9
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