CID 3061128

Cyclobutanecarboxylic acid, 5-(aminocarbonyl)-1h-imidazol-4-yl ester

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1CC(C1)C(=O)OC2=C(NC=N2)C(=O)N
InChI
InChI=1S/C9H11N3O3/c10-7(13)6-8(12-4-11-6)15-9(14)5-2-1-3-5/h4-5H,1-3H2,(H2,10,13)(H,11,12)
InChIKey
SHHRLINCOHUSHV-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) cyclobutanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.08005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 145.8
[M+Na]+ 232.069268 149.9
[M-H]- 208.072774 147.8
[M+NH4]+ 227.113873 155.2
[M+K]+ 248.043208 151.5
[M+H-H2O]+ 192.077310 132.3
[M+HCOO]- 254.078251 164.2
[M+CH3COO]- 268.093901 186.6
[M+Na-2H]- 230.054716 146.5
[M]+ 209.07950142 151.2
[M]- 209.08059858 151.2
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