CID 75176266

1192968-13-0

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1CNCC2=C1OC(=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H12N2O3/c16-15(17)11-3-1-9(2-4-11)13-7-10-8-14-6-5-12(10)18-13/h1-4,7,14H,5-6,8H2
InChIKey
BJWRBNQRMCWLBU-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 150.9
[M+Na]+ 267.07402 164.5
[M+NH4]+ 262.11862 159.5
[M+K]+ 283.04796 162.6
[M-H]- 243.07752 156.9
[M+Na-2H]- 265.05947 157.0
[M]+ 244.08425 154.4
[M]- 244.08535 154.4
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

No patent data available for this compound.