CID 43477040

1-cyclopentyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1CCC(C1)N2C=CC=C2C(=O)O
InChI
InChI=1S/C10H13NO2/c12-10(13)9-6-3-7-11(9)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,12,13)
InChIKey
RCPPLDGZLGPBIJ-UHFFFAOYSA-N
Compound name
1-cyclopentylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 139.8
[M+Na]+ 202.083858 146.1
[M-H]- 178.087364 143.8
[M+NH4]+ 197.128463 160.9
[M+K]+ 218.057798 144.3
[M+H-H2O]+ 162.091900 133.4
[M+HCOO]- 224.092841 160.9
[M+CH3COO]- 238.108491 176.2
[M+Na-2H]- 200.069306 140.5
[M]+ 179.09409142 136.7
[M]- 179.09518858 136.7
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

patents stripe