CID 3011569

1h-imidazole-4-propanoic acid, 2-cyclopentyl-

Structural Information

Molecular Formula
C11H16N2O2
SMILES
C1CCC(C1)C2=NC=C(N2)CCC(=O)O
InChI
InChI=1S/C11H16N2O2/c14-10(15)6-5-9-7-12-11(13-9)8-3-1-2-4-8/h7-8H,1-6H2,(H,12,13)(H,14,15)
InChIKey
HTDPXNUYNXFMOI-UHFFFAOYSA-N
Compound name
3-(2-cyclopentyl-1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 148.6
[M+Na]+ 231.11041 154.0
[M-H]- 207.11391 149.6
[M+NH4]+ 226.15501 166.4
[M+K]+ 247.08435 151.0
[M+H-H2O]+ 191.11845 141.1
[M+HCOO]- 253.11939 166.5
[M+CH3COO]- 267.13504 179.4
[M+Na-2H]- 229.09586 148.2
[M]+ 208.12064 144.5
[M]- 208.12174 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.