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]+ 228.09788 149.3
[M+Na]+ 250.07982 156.5
[M-H]- 226.08332 149.5
[M+NH4]+ 245.12442 165.6
[M+K]+ 266.05376 156.1
[M+H-H2O]+ 210.08786 142.6
[M+HCOO]- 272.08880 169.3
[M+CH3COO]- 286.10445 186.8
[M+Na-2H]- 248.06527 153.1
[M]+ 227.09005 150.9
[M]- 227.09115 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.