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]+ 209.128466 148.6
[M+Na]+ 231.110408 154.0
[M-H]- 207.113914 149.6
[M+NH4]+ 226.155013 166.4
[M+K]+ 247.084348 151.0
[M+H-H2O]+ 191.118450 141.1
[M+HCOO]- 253.119391 166.5
[M+CH3COO]- 267.135041 179.4
[M+Na-2H]- 229.095856 148.2
[M]+ 208.12064142 144.5
[M]- 208.12173858 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.