CID 5324110

3-phenyl-1h-pyrrole

Structural Information

Molecular Formula
C10H9N
SMILES
C1=CC=C(C=C1)C2=CNC=C2
InChI
InChI=1S/C10H9N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8,11H
InChIKey
LJDRAKFYYGCAQC-UHFFFAOYSA-N
Compound name
3-phenyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1149
Patents

143.0735 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 129.4
[M+Na]+ 166.06272 143.4
[M+NH4]+ 161.10732 139.3
[M+K]+ 182.03666 137.4
[M-H]- 142.06622 133.4
[M+Na-2H]- 164.04817 139.3
[M]+ 143.07295 132.5
[M]- 143.07405 132.5
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