CID 22350700

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

Structural Information

Molecular Formula
C12H11NO2
SMILES
CN1C(=CC=C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO2/c1-13-10(7-8-11(13)12(14)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKey
LSTMANYLITXSFR-UHFFFAOYSA-N
Compound name
1-methyl-5-phenylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

201.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 142.2
[M+Na]+ 224.068198 151.0
[M-H]- 200.071704 147.1
[M+NH4]+ 219.112803 161.2
[M+K]+ 240.042138 147.8
[M+H-H2O]+ 184.076240 135.5
[M+HCOO]- 246.077181 165.0
[M+CH3COO]- 260.092831 182.3
[M+Na-2H]- 222.053646 145.8
[M]+ 201.07843142 142.4
[M]- 201.07952858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe