CID 15158301

4-(1,3-benzodioxol-5-yl)pyridine

Structural Information

Molecular Formula
C12H9NO2
SMILES
C1OC2=C(O1)C=C(C=C2)C3=CC=NC=C3
InChI
InChI=1S/C12H9NO2/c1-2-11-12(15-8-14-11)7-10(1)9-3-5-13-6-4-9/h1-7H,8H2
InChIKey
ONMMXNUURRLBRR-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

199.06332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 138.7
[M+Na]+ 222.05254 147.8
[M-H]- 198.05604 146.5
[M+NH4]+ 217.09714 156.5
[M+K]+ 238.02648 146.9
[M+H-H2O]+ 182.06058 131.7
[M+HCOO]- 244.06152 160.3
[M+CH3COO]- 258.07717 152.9
[M+Na-2H]- 220.03799 147.8
[M]+ 199.06277 140.2
[M]- 199.06387 140.2
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