CID 9205

5h-indeno[1,2-b]pyridine

Structural Information

Molecular Formula
C12H9N
SMILES
C1C2=C(C3=CC=CC=C31)N=CC=C2
InChI
InChI=1S/C12H9N/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H,8H2
InChIKey
FWEHZHRUCQRSJP-UHFFFAOYSA-N
Compound name
5H-indeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

211
Patents

167.0735 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.080776 132.4
[M+Na]+ 190.062718 142.4
[M-H]- 166.066224 136.9
[M+NH4]+ 185.107323 155.7
[M+K]+ 206.036658 138.1
[M+H-H2O]+ 150.070760 125.9
[M+HCOO]- 212.071701 155.3
[M+CH3COO]- 226.087351 146.9
[M+Na-2H]- 188.048166 141.8
[M]+ 167.07295142 132.6
[M]- 167.07404858 132.6
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