CID 1519379

4-phenyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1=CC=C(C=C1)C2=CNC=C2C(=O)O
InChI
InChI=1S/C11H9NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChIKey
IZAUZUSKFWENMY-UHFFFAOYSA-N
Compound name
4-phenyl-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

187.06332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 138.6
[M+Na]+ 210.05254 146.4
[M-H]- 186.05604 141.8
[M+NH4]+ 205.09714 157.1
[M+K]+ 226.02648 142.5
[M+H-H2O]+ 170.06058 132.0
[M+HCOO]- 232.06152 160.1
[M+CH3COO]- 246.07717 175.6
[M+Na-2H]- 208.03799 142.9
[M]+ 187.06277 136.1
[M]- 187.06387 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

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