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]+ 180.10192 138.8
[M+Na]+ 202.08386 144.8
[M+NH4]+ 197.12846 142.5
[M+K]+ 218.05780 143.8
[M-H]- 178.08736 137.3
[M+Na-2H]- 200.06931 141.1
[M]+ 179.09409 137.8
[M]- 179.09519 137.8
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.