CID 119032098

2-cyclobutyl-1-methyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
CN1C=CC(=C1C2CCC2)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-11-6-5-8(10(12)13)9(11)7-3-2-4-7/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey
WETMXPDLUWNKQB-UHFFFAOYSA-N
Compound name
2-cyclobutyl-1-methylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 136.2
[M+Na]+ 202.083858 142.5
[M-H]- 178.087364 140.5
[M+NH4]+ 197.128463 149.7
[M+K]+ 218.057798 143.5
[M+H-H2O]+ 162.091900 125.3
[M+HCOO]- 224.092841 156.2
[M+CH3COO]- 238.108491 182.3
[M+Na-2H]- 200.069306 138.1
[M]+ 179.09409142 143.9
[M]- 179.09518858 143.9
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

No patent data available for this compound.