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
8
Annotation Hits

29249
References

115077
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 109.4
[M+Na]+ 90.031418 121.2
[M+NH4]+ 85.076023 118.9
[M+K]+ 106.00536 116.8
[M-H]- 66.034924 110.6
[M+Na-2H]- 88.016866 116.7
[M]+ 67.041651 111.2
[M]- 67.042749 111.2
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