CID 150549664

Lithium(1+) 1-{[(tert-butoxy)carbonyl]amino}-1h-imidazole-2-carboxylate

Structural Information

Molecular Formula
C9H13N3O4
SMILES
CC(C)(C)OC(=O)NN1C=CN=C1C(=O)O
InChI
InChI=1S/C9H13N3O4/c1-9(2,3)16-8(15)11-12-5-4-10-6(12)7(13)14/h4-5H,1-3H3,(H,11,15)(H,13,14)
InChIKey
IHPJRQMLOYWJTD-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0906 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.097876 149.3
[M+Na]+ 250.079818 156.5
[M-H]- 226.083324 149.5
[M+NH4]+ 245.124423 165.6
[M+K]+ 266.053758 156.1
[M+H-H2O]+ 210.087860 142.6
[M+HCOO]- 272.088801 169.3
[M+CH3COO]- 286.104451 186.8
[M+Na-2H]- 248.065266 153.1
[M]+ 227.09005142 150.9
[M]- 227.09114858 150.9
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

No patent data available for this compound.