CID 3011561

794495-34-4

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CCC(C1)C2=NC=C(N2)C(=O)O
InChI
InChI=1S/C9H12N2O2/c12-9(13)7-5-10-8(11-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKey
RMJVBXKXQDZQPP-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

180.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 139.6
[M+Na]+ 203.079088 145.9
[M-H]- 179.082594 141.0
[M+NH4]+ 198.123693 158.6
[M+K]+ 219.053028 143.4
[M+H-H2O]+ 163.087130 132.5
[M+HCOO]- 225.088071 158.3
[M+CH3COO]- 239.103721 173.5
[M+Na-2H]- 201.064536 140.3
[M]+ 180.08932142 134.8
[M]- 180.09041858 134.8
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

patents stripe