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

29400
References

199038
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

literature stripe

Patent stripe

patents stripe