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

18
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 139.9
[M+Na]+ 202.08386 146.3
[M-H]- 178.08736 143.9
[M+NH4]+ 197.12846 162.7
[M+K]+ 218.05780 144.5
[M+H-H2O]+ 162.09190 134.0
[M+HCOO]- 224.09284 161.1
[M+CH3COO]- 238.10849 174.7
[M+Na-2H]- 200.06931 142.5
[M]+ 179.09409 136.7
[M]- 179.09519 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