CID 227455

1-phenylpyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1=CC=C(C=C1)N2C=CC=C2C(=O)O
InChI
InChI=1S/C11H9NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-8H,(H,13,14)
InChIKey
GMLCQPJLSFPJMX-UHFFFAOYSA-N
Compound name
1-phenylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
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 138.0
[M+Na]+ 210.052538 146.3
[M-H]- 186.056044 142.6
[M+NH4]+ 205.097143 157.3
[M+K]+ 226.026478 143.3
[M+H-H2O]+ 170.060580 131.2
[M+HCOO]- 232.061521 161.1
[M+CH3COO]- 246.077171 178.1
[M+Na-2H]- 208.037986 142.8
[M]+ 187.06277142 137.4
[M]- 187.06386858 137.4
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