CID 3022472

93805-09-5

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CC(C)COC(=O)C1=CNC(=O)N1
InChI
InChI=1S/C8H12N2O3/c1-5(2)4-13-7(11)6-3-9-8(12)10-6/h3,5H,4H2,1-2H3,(H2,9,10,12)
InChIKey
HMMXWWBZHZHPNU-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-oxo-1,3-dihydroimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 139.1
[M+Na]+ 207.074018 146.9
[M-H]- 183.077524 137.7
[M+NH4]+ 202.118623 156.7
[M+K]+ 223.047958 144.8
[M+H-H2O]+ 167.082060 132.6
[M+HCOO]- 229.083001 158.2
[M+CH3COO]- 243.098651 175.2
[M+Na-2H]- 205.059466 141.3
[M]+ 184.08425142 138.5
[M]- 184.08534858 138.5
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