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

13
Patents

179.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 140.7
[M+Na]+ 202.08386 149.6
[M+NH4]+ 197.12846 149.9
[M+K]+ 218.05780 146.4
[M-H]- 178.08736 141.8
[M+Na-2H]- 200.06931 146.9
[M]+ 179.09409 142.0
[M]- 179.09519 142.0
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