CID 13331296

1-methyl-4-phenyl-1h-pyrrole-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

201.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 143.7
[M+Na]+ 224.06820 156.8
[M+NH4]+ 219.11280 151.7
[M+K]+ 240.04214 152.5
[M-H]- 200.07170 146.2
[M+Na-2H]- 222.05365 151.1
[M]+ 201.07843 146.2
[M]- 201.07953 146.2
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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