CID 61291603

1-(1h-pyrrol-1-yl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1CCC(C1)(C(=O)O)N2C=CC=C2
InChI
InChI=1S/C10H13NO2/c12-9(13)10(5-1-2-6-10)11-7-3-4-8-11/h3-4,7-8H,1-2,5-6H2,(H,12,13)
InChIKey
ALVZLIHRWQLKTP-UHFFFAOYSA-N
Compound name
1-pyrrol-1-ylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

179.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 139.9
[M+Na]+ 202.083858 146.3
[M-H]- 178.087364 143.9
[M+NH4]+ 197.128463 162.7
[M+K]+ 218.057798 144.5
[M+H-H2O]+ 162.091900 134.0
[M+HCOO]- 224.092841 161.1
[M+CH3COO]- 238.108491 174.7
[M+Na-2H]- 200.069306 142.5
[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