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]+ 210.08733 145.8
[M+Na]+ 232.06927 149.9
[M-H]- 208.07277 147.8
[M+NH4]+ 227.11387 155.2
[M+K]+ 248.04321 151.5
[M+H-H2O]+ 192.07731 132.3
[M+HCOO]- 254.07825 164.2
[M+CH3COO]- 268.09390 186.6
[M+Na-2H]- 230.05472 146.5
[M]+ 209.07950 151.2
[M]- 209.08060 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