CID 84650124

Lithium 2-amino-1,5-dimethyl-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CC1=C(N=C(N1C)N)C(=O)O
InChI
InChI=1S/C6H9N3O2/c1-3-4(5(10)11)8-6(7)9(3)2/h1-2H3,(H2,7,8)(H,10,11)
InChIKey
DQOQXGFOTAFCPJ-UHFFFAOYSA-N
Compound name
2-amino-1,5-dimethylimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.06947 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.076746 130.7
[M+Na]+ 178.058688 140.7
[M-H]- 154.062194 131.0
[M+NH4]+ 173.103293 150.2
[M+K]+ 194.032628 139.1
[M+H-H2O]+ 138.066730 124.5
[M+HCOO]- 200.067671 152.8
[M+CH3COO]- 214.083321 176.9
[M+Na-2H]- 176.044136 133.5
[M]+ 155.06892142 130.2
[M]- 155.07001858 130.2
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

No patent data available for this compound.