CID 255663

Di-1h-pyrrol-2-ylmethanone

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CNC(=C1)C(=O)C2=CC=CN2
InChI
InChI=1S/C9H8N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h1-6,10-11H
InChIKey
DKEKURXRUXRNES-UHFFFAOYSA-N
Compound name
bis(1H-pyrrol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

381
Patents

160.06366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 131.7
[M+Na]+ 183.05288 140.3
[M-H]- 159.05638 133.9
[M+NH4]+ 178.09748 151.5
[M+K]+ 199.02682 136.7
[M+H-H2O]+ 143.06092 124.6
[M+HCOO]- 205.06186 154.5
[M+CH3COO]- 219.07751 145.0
[M+Na-2H]- 181.03833 136.0
[M]+ 160.06311 129.4
[M]- 160.06421 129.4
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