CID 47003030

1-(4-amino-2-methylphenyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=C(C=CC(=C1)N)N2C=CC=C2C(=O)O
InChI
InChI=1S/C12H12N2O2/c1-8-7-9(13)4-5-10(8)14-6-2-3-11(14)12(15)16/h2-7H,13H2,1H3,(H,15,16)
InChIKey
WMBYLHXGULTRCK-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methylphenyl)pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 147.8
[M+Na]+ 239.07909 159.6
[M+NH4]+ 234.12369 155.1
[M+K]+ 255.05303 156.3
[M-H]- 215.08259 150.4
[M+Na-2H]- 237.06454 154.2
[M]+ 216.08932 150.0
[M]- 216.09042 150.0
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.

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No patent data available for this compound.