CID 8027

Pyrrole

Structural Information

Molecular Formula
C4H5N
SMILES
C1=CNC=C1
InChI
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKey
KAESVJOAVNADME-UHFFFAOYSA-N
Compound name
1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

29486
References

204713
Patents

67.0422 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 68.049476 108.5
[M+Na]+ 90.031418 116.6
[M-H]- 66.034924 109.4
[M+NH4]+ 85.076023 132.5
[M+K]+ 106.00536 115.5
[M+H-H2O]+ 50.039460 103.1
[M+HCOO]- 112.04040 132.6
[M+CH3COO]- 126.05605 155.4
[M+Na-2H]- 88.016866 117.3
[M]+ 67.041651 105.5
[M]- 67.042749 105.5
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.