CID 226199

5-phenyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(N2)C(=O)O
InChI
InChI=1S/C11H9NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChIKey
YEQVNAGNEONSTR-UHFFFAOYSA-N
Compound name
5-phenyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

135
Patents

187.06332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 138.6
[M+Na]+ 210.052538 146.4
[M-H]- 186.056044 141.8
[M+NH4]+ 205.097143 157.1
[M+K]+ 226.026478 142.5
[M+H-H2O]+ 170.060580 132.0
[M+HCOO]- 232.061521 160.1
[M+CH3COO]- 246.077171 175.6
[M+Na-2H]- 208.037986 142.9
[M]+ 187.06277142 136.1
[M]- 187.06386858 136.1
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