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 136.2
[M+Na]+ 202.08386 142.5
[M-H]- 178.08736 140.5
[M+NH4]+ 197.12846 149.7
[M+K]+ 218.05780 143.5
[M+H-H2O]+ 162.09190 125.3
[M+HCOO]- 224.09284 156.2
[M+CH3COO]- 238.10849 182.3
[M+Na-2H]- 200.06931 138.1
[M]+ 179.09409 143.9
[M]- 179.09519 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.