CID 101030

Pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1=CNC=C1C(=O)O
InChI
InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
InChIKey
DOYOPBSXEIZLRE-UHFFFAOYSA-N
Compound name
1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

5893
Patents

111.03203 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 120.1
[M+Na]+ 134.02125 130.2
[M+NH4]+ 129.06585 127.5
[M+K]+ 149.99519 127.9
[M-H]- 110.02475 119.2
[M+Na-2H]- 132.00670 124.8
[M]+ 111.03148 120.8
[M]- 111.03258 120.8
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